2-[[3-(1,3-benzodioxol-5-yl)-3-[(1-methanoyl-6-methoxy-naphthalen-2-yl)sulfonylamino]propanoyl]amino]-3-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-N-methyl-N-propan-2-yl-propanamide

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-[(1-methanoyl-6-methoxy-naphthalen-2-yl)sulfonylamino]propanoyl]amino]-3-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-N-methyl-N-propan-2-yl-propanamide Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-[(1-formyl-6-methoxy-2-naphthyl)sulfonylamino]propanoyl]amino]-3-[4-[(2,6-dimethyl-1-piperidyl)methyl]phenyl]-N-isopropyl-N-methyl-propanamide CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-[(1-formyl-6-methoxy-2-naphthalenyl)sulfonylamino]-1-oxopropyl]amino]-3-[4-[(2,6-dimethyl-1-piperidinyl)methyl]phenyl]-N-methyl-N-propan-2-ylpropanamide IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-[(1-formyl-6-methoxynaphthalen-2-yl)sulfonylamino]propanoyl]amino]-3-[4-[(2,6-dimethylpiperidin-1-yl)methyl]phenyl]-N-methyl-N-propan-2-ylpropanamide Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-[(1-formyl-6-methoxy-2-naphthyl)sulfonylamino]propanoyl]amino]-3-[4-[(2,6-dimethylpiperidino)methyl]phenyl]-N-isopropyl-N-methyl-propionamide Formula: C43H52N4O8S MolecularWeight: 784.95998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CC2=CC=C(C=C2)CC(C(=O)N(C)C(C)C)NC(=O)CC(C3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=C(C6=C(C=C5)C=C(C=C6)OC)C=O)C

Isomeric SMILES

CC1CCCC(N1CC2=CC=C(C=C2)CC(C(=O)N(C)C(C)C)NC(=O)CC(C3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=C(C6=C(C=C5)C=C(C=C6)OC)C=O)C

InChI

InChI=1S/C43H52N4O8S/c1-27(2)46(5)43(50)38(20-30-10-12-31(13-11-30)24-47-28(3)8-7-9-29(47)4)44-42(49)23-37(33-14-18-39-40(22-33)55-26-54-39)45-56(51,52)41-19-15-32-21-34(53-6)16-17-35(32)36(41)25-48/h10-19,21-22,25,27-29,37-38,45H,7-9,20,23-24,26H2,1-6H3,(H,44,49)