4-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzenesulfonamide Openeye Name: N-[1-(4-benzyl-1,4-diazepane-1-carbonyl)-3-methylsulfanyl-propyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[4-(methylthio)-1-oxo-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-2-yl]benzenesulfonamide IUPAC Name: N-[1-(4-benzyl-1,4-diazepan-1-yl)-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-(4-benzyl-1,4-diazepane-1-carbonyl)-3-(methylthio)propyl]-4-methyl-benzenesulfonamide Formula: C24H33N3O3S2 MolecularWeight: 475.66712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H33N3O3S2/c1-20-9-11-22(12-10-20)32(29,30)25-23(13-18-31-2)24(28)27-15-6-14-26(16-17-27)19-21-7-4-3-5-8-21/h3-5,7-12,23,25H,6,13-19H2,1-2H3