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

Systemtic Name: 3-chloranyl-N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxidanylidene-propyl]benzenesulfonamide Openeye Name: 3-chloro-N-[3-oxo-3-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide CAS Name: 3-chloro-N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide IUPAC Name: 3-chloro-N-[3-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]benzenesulfonamide Traditional Name: 3-chloro-N-[3-keto-3-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O3S/c1-18-6-8-19(9-7-18)17-25-12-3-13-26(15-14-25)22(27)10-11-24-30(28,29)21-5-2-4-20(23)16-21/h2,4-9,16,24H,3,10-15,17H2,1H3