1-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-[(2-methoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-o-anisyl-nipecotamide Formula: C20H31N3O4S MolecularWeight: 409.54284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O4S/c1-27-19-11-5-4-9-17(19)15-21-20(24)18-10-8-14-23(16-18)28(25,26)22-12-6-2-3-7-13-22/h4-5,9,11,18H,2-3,6-8,10,12-16H2,1H3,(H,21,24)