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

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-[(2-ethoxyphenyl)methyl]-3-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-(2-ethoxybenzyl)nipecotamide Formula: C21H33N3O4S MolecularWeight: 423.56942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2CCCN(C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H33N3O4S/c1-2-28-20-12-6-5-10-18(20)16-22-21(25)19-11-9-15-24(17-19)29(26,27)23-13-7-3-4-8-14-23/h5-6,10,12,19H,2-4,7-9,11,13-17H2,1H3,(H,22,25)