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

Systemtic Name: N-methyl-4-[3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide Openeye Name: 4-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxo-propyl]-N-methyl-benzenesulfonamide CAS Name: N-methyl-4-[3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]benzenesulfonamide IUPAC Name: 4-[3-(4-benzyl-1,4-diazepan-1-yl)-3-oxopropyl]-N-methylbenzenesulfonamide Traditional Name: 4-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-propyl]-N-methyl-benzenesulfonamide Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CNS(=O)(=O)C1=CC=C(C=C1)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

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