2-[[3-(1,3-benzodioxol-5-yl)-3-[(3-methyl-1-benzofuran-2-yl)sulfonylamino]propanoyl]amino]-3-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-propan-2-yl-propanamide

Systemtic Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-[(3-methyl-1-benzofuran-2-yl)sulfonylamino]propanoyl]amino]-3-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-propan-2-yl-propanamide Openeye Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-[(3-methylbenzofuran-2-yl)sulfonylamino]propanoyl]amino]-3-[4-[[(2S,6R)-2,6-dimethyl-1-piperidyl]methyl]phenyl]-N-isopropyl-N-methyl-propanamide CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-[(3-methyl-2-benzofuranyl)sulfonylamino]-1-oxopropyl]amino]-3-[4-[[(2S,6R)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]-N-methyl-N-propan-2-ylpropanamide IUPAC Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-[(3-methyl-1-benzofuran-2-yl)sulfonylamino]propanoyl]amino]-3-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-propan-2-ylpropanamide Traditional Name: 2-[[3-(1,3-benzodioxol-5-yl)-3-[(3-methylbenzofuran-2-yl)sulfonylamino]propanoyl]amino]-3-[4-[[(2S,6R)-2,6-dimethylpiperidino]methyl]phenyl]-N-isopropyl-N-methyl-propionamide Formula: C40H50N4O7S MolecularWeight: 730.9126

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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=CC=CC=C6O5)C)C

Isomeric SMILES

C[C@@H]1CCC[C@@H](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=CC=CC=C6O5)C)C

InChI

InChI=1S/C40H50N4O7S/c1-25(2)43(6)39(46)34(20-29-14-16-30(17-15-29)23-44-26(3)10-9-11-27(44)4)41-38(45)22-33(31-18-19-36-37(21-31)50-24-49-36)42-52(47,48)40-28(5)32-12-7-8-13-35(32)51-40/h7-8,12-19,21,25-27,33-34,42H,9-11,20,22-24H2,1-6H3,(H,41,45)/t26-,27+,33?,34?