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

Systemtic Name: N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: N-[3-oxo-3-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide CAS Name: N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide IUPAC Name: N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: N-[3-keto-3-[4-(4-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=C(C=C1)CN2CCCN(CC2)C(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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