N-[[4-(4-methylpiperazin-1-yl)-1-[3-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[4-(4-methylpiperazin-1-yl)-1-[3-(naphthalen-2-ylsulfonylamino)-3-phenyl-propanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[4-(4-methylpiperazin-1-yl)-1-[3-(2-naphthylsulfonylamino)-3-phenyl-propanoyl]-4-piperidyl]methyl]pyridine-3-carboxamide CAS Name: N-[[4-(4-methyl-1-piperazinyl)-1-[3-(2-naphthalenylsulfonylamino)-1-oxo-3-phenylpropyl]-4-piperidinyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[4-(4-methylpiperazin-1-yl)-1-[3-(naphthalen-2-ylsulfonylamino)-3-phenylpropanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[4-(4-methylpiperazino)-1-[3-(2-naphthylsulfonylamino)-3-phenyl-propanoyl]-4-piperidyl]methyl]nicotinamide Formula: C36H42N6O4S MolecularWeight: 654.82148

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2(CCN(CC2)C(=O)CC(C3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)CNC(=O)C6=CN=CC=C6

Isomeric SMILES

CN1CCN(CC1)C2(CCN(CC2)C(=O)CC(C3=CC=CC=C3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)CNC(=O)C6=CN=CC=C6

InChI

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