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

Systemtic Name: 3-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-2-[[3-(3-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)sulfonylamino]propanoyl]amino]-N-methyl-N-propan-2-yl-propanamide Openeye Name: 3-[4-[[(2S,6R)-2,6-dimethyl-1-piperidyl]methyl]phenyl]-2-[[3-(3-fluorophenyl)-3-[(6-methoxy-2-naphthyl)sulfonylamino]propanoyl]amino]-N-isopropyl-N-methyl-propanamide CAS Name: 3-[4-[[(2S,6R)-2,6-dimethyl-1-piperidinyl]methyl]phenyl]-2-[[3-(3-fluorophenyl)-3-[(6-methoxy-2-naphthalenyl)sulfonylamino]-1-oxopropyl]amino]-N-methyl-N-propan-2-ylpropanamide IUPAC Name: 3-[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]phenyl]-2-[[3-(3-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)sulfonylamino]propanoyl]amino]-N-methyl-N-propan-2-ylpropanamide Traditional Name: 3-[4-[[(2S,6R)-2,6-dimethylpiperidino]methyl]phenyl]-2-[[3-(3-fluorophenyl)-3-[(6-methoxy-2-naphthyl)sulfonylamino]propanoyl]amino]-N-isopropyl-N-methyl-propionamide Formula: C41H51FN4O5S MolecularWeight: 730.930843

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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=CC(=CC=C3)F)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC)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=CC(=CC=C3)F)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC)C

InChI

InChI=1S/C41H51FN4O5S/c1-27(2)45(5)41(48)39(21-30-13-15-31(16-14-30)26-46-28(3)9-7-10-29(46)4)43-40(47)25-38(34-11-8-12-35(42)22-34)44-52(49,50)37-20-18-32-23-36(51-6)19-17-33(32)24-37/h8,11-20,22-24,27-29,38-39,44H,7,9-10,21,25-26H2,1-6H3,(H,43,47)/t28-,29+,38?,39?