N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide

Systemtic Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: N-[3-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]-3-oxo-propyl]benzenesulfonamide CAS Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide IUPAC Name: N-[3-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-19-8-5-6-9-20(19)18-24-14-7-15-25(17-16-24)22(26)12-13-23-29(27,28)21-10-3-2-4-11-21/h2-6,8-11,23H,7,12-18H2,1H3