1-(4-methylphenyl)sulfonyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-benzofuran-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1-benzofuran-3-yl]piperidine-4-carboxamide Openeye Name: N-[2-(4-benzylpiperazine-1-carbonyl)benzofuran-3-yl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[2-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-benzofuranyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(4-benzylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-benzylpiperazine-1-carbonyl)benzofuran-3-yl]-1-tosyl-isonipecotamide Formula: C33H36N4O5S MolecularWeight: 600.72774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)N5CCN(CC5)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)N5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C33H36N4O5S/c1-24-11-13-27(14-12-24)43(40,41)37-17-15-26(16-18-37)32(38)34-30-28-9-5-6-10-29(28)42-31(30)33(39)36-21-19-35(20-22-36)23-25-7-3-2-4-8-25/h2-14,26H,15-23H2,1H3,(H,34,38)