N-[2-(azepan-1-ylcarbonyl)-1-benzofuran-3-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)-1-benzofuran-3-yl]-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepane-1-carbonyl)benzofuran-3-yl]-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]-3-benzofuranyl]-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepane-1-carbonyl)benzofuran-3-yl]-1-tosyl-isonipecotamide Formula: C28H33N3O5S MolecularWeight: 523.64372

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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)N5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(OC4=CC=CC=C43)C(=O)N5CCCCCC5

InChI

InChI=1S/C28H33N3O5S/c1-20-10-12-22(13-11-20)37(34,35)31-18-14-21(15-19-31)27(32)29-25-23-8-4-5-9-24(23)36-26(25)28(33)30-16-6-2-3-7-17-30/h4-5,8-13,21H,2-3,6-7,14-19H2,1H3,(H,29,32)