N-[4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide CAS Name: N-[4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C21H27N3O3S/c1-17-4-6-18(7-5-17)16-23-12-3-13-24(15-14-23)21(25)19-8-10-20(11-9-19)22-28(2,26)27/h4-11,22H,3,12-16H2,1-2H3