5-(3-methylpiperidin-1-yl)-1-[2-(phenylsulfonyl)ethyl]azepan-2-one

Systemtic Name: 5-(3-methylpiperidin-1-yl)-1-[2-(phenylsulfonyl)ethyl]azepan-2-one Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-5-(3-methyl-1-piperidyl)azepan-2-one CAS Name: 1-[2-(benzenesulfonyl)ethyl]-5-(3-methyl-1-piperidinyl)-2-azepanone IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-5-(3-methylpiperidin-1-yl)azepan-2-one Traditional Name: 1-(2-besylethyl)-5-(3-methylpiperidino)azepan-2-one Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1CCCN(C1)C2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H30N2O3S/c1-17-6-5-12-22(16-17)18-9-10-20(23)21(13-11-18)14-15-26(24,25)19-7-3-2-4-8-19/h2-4,7-8,17-18H,5-6,9-16H2,1H3