5-[cyclohexyl(methyl)amino]-1-[2-(phenylsulfonyl)ethyl]azepan-2-one

Systemtic Name: 5-[cyclohexyl(methyl)amino]-1-[2-(phenylsulfonyl)ethyl]azepan-2-one Openeye Name: 1-[2-(benzenesulfonyl)ethyl]-5-[cyclohexyl(methyl)amino]azepan-2-one CAS Name: 1-[2-(benzenesulfonyl)ethyl]-5-[cyclohexyl(methyl)amino]-2-azepanone IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]-5-[cyclohexyl(methyl)amino]azepan-2-one Traditional Name: 1-(2-besylethyl)-5-[cyclohexyl(methyl)amino]azepan-2-one Formula: C21H32N2O3S MolecularWeight: 392.55538

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN(C1CCCCC1)C2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H32N2O3S/c1-22(18-8-4-2-5-9-18)19-12-13-21(24)23(15-14-19)16-17-27(25,26)20-10-6-3-7-11-20/h3,6-7,10-11,18-19H,2,4-5,8-9,12-17H2,1H3