1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1,4-diazepan-5-one Openeye Name: 1-[1-(m-tolylsulfonyl)-4-piperidyl]-1,4-diazepan-5-one CAS Name: 1-[1-(3-methylphenyl)sulfonyl-4-piperidinyl]-1,4-diazepan-5-one IUPAC Name: 1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1,4-diazepan-5-one Traditional Name: 1-[1-(m-tolylsulfonyl)-4-piperidyl]-1,4-diazepan-5-one Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)N3CCC(=O)NCC3

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCC(CC2)N3CCC(=O)NCC3

InChI

InChI=1S/C17H25N3O3S/c1-14-3-2-4-16(13-14)24(22,23)20-10-5-15(6-11-20)19-9-7-17(21)18-8-12-19/h2-4,13,15H,5-12H2,1H3,(H,18,21)