1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide Openeye Name: 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide CAS Name: 1-(1-azepanylsulfonyl)-N-(1-phenylethyl)-4-piperidinecarboxamide IUPAC Name: 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)piperidine-4-carboxamide Traditional Name: 1-(azepan-1-ylsulfonyl)-N-(1-phenylethyl)isonipecotamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-17(18-9-5-4-6-10-18)21-20(24)19-11-15-23(16-12-19)27(25,26)22-13-7-2-3-8-14-22/h4-6,9-10,17,19H,2-3,7-8,11-16H2,1H3,(H,21,24)