N-[2-(azepan-1-yl)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)phenyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-1-esyl-isonipecotamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C20H31N3O3S/c1-2-27(25,26)23-15-11-17(12-16-23)20(24)21-18-9-5-6-10-19(18)22-13-7-3-4-8-14-22/h5-6,9-10,17H,2-4,7-8,11-16H2,1H3,(H,21,24)