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

Systemtic Name: 1-[2-(phenylsulfonyl)ethyl]-5-piperidin-1-yl-azepan-2-one Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-5-(1-piperidyl)azepan-2-one CAS Name: 1-[2-(benzenesulfonyl)ethyl]-5-(1-piperidinyl)-2-azepanone IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-5-piperidin-1-ylazepan-2-one Traditional Name: 1-(2-besylethyl)-5-piperidino-azepan-2-one Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H28N2O3S/c22-19-10-9-17(20-12-5-2-6-13-20)11-14-21(19)15-16-25(23,24)18-7-3-1-4-8-18/h1,3-4,7-8,17H,2,5-6,9-16H2