N-[[1-[3-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanoyl]-4-(4-pyridin-4-ylpiperazin-1-yl)piperidin-4-yl]methyl]ethanamide

Systemtic Name: N-[[1-[3-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanoyl]-4-(4-pyridin-4-ylpiperazin-1-yl)piperidin-4-yl]methyl]ethanamide Openeye Name: N-[[1-[3-(2-naphthylsulfonylamino)-3-phenyl-propanoyl]-4-[4-(4-pyridyl)piperazin-1-yl]-4-piperidyl]methyl]acetamide CAS Name: N-[[1-[3-(2-naphthalenylsulfonylamino)-1-oxo-3-phenylpropyl]-4-(4-pyridin-4-yl-1-piperazinyl)-4-piperidinyl]methyl]acetamide IUPAC Name: N-[[1-[3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoyl]-4-(4-pyridin-4-ylpiperazin-1-yl)piperidin-4-yl]methyl]acetamide Traditional Name: N-[[1-[3-(2-naphthylsulfonylamino)-3-phenyl-propanoyl]-4-[4-(4-pyridyl)piperazino]-4-piperidyl]methyl]acetamide Formula: C36H42N6O4S MolecularWeight: 654.82148

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1(CCN(CC1)C(=O)CC(C2=CC=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)N5CCN(CC5)C6=CC=NC=C6

Isomeric SMILES

CC(=O)NCC1(CCN(CC1)C(=O)CC(C2=CC=CC=C2)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3)N5CCN(CC5)C6=CC=NC=C6

InChI

InChI=1S/C36H42N6O4S/c1-28(43)38-27-36(42-23-21-40(22-24-42)32-13-17-37-18-14-32)15-19-41(20-16-36)35(44)26-34(30-8-3-2-4-9-30)39-47(45,46)33-12-11-29-7-5-6-10-31(29)25-33/h2-14,17-18,25,34,39H,15-16,19-24,26-27H2,1H3,(H,38,43)