N-[1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-propan-2-yl]-1-phenyl-methanesulfonamide Openeye Name: N-[1-methyl-2-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-2-oxo-ethyl]-1-phenyl-methanesulfonamide CAS Name: N-[1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-1-phenylmethanesulfonamide IUPAC Name: N-[1-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopropan-2-yl]-1-phenylmethanesulfonamide Traditional Name: N-[2-keto-1-methyl-2-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]ethyl]-1-phenyl-methanesulfonamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C(C)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C(C)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O3S/c1-19-9-6-7-12-22(19)17-25-13-8-14-26(16-15-25)23(27)20(2)24-30(28,29)18-21-10-4-3-5-11-21/h3-7,9-12,20,24H,8,13-18H2,1-2H3