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

Systemtic Name: N-[1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[1-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-3-methylsulfanyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-(methylthio)-1-oxobutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[1-[4-(4-fluorobenzyl)-1,4-diazepane-1-carbonyl]-3-(methylthio)propyl]-4-methyl-benzenesulfonamide Formula: C24H32FN3O3S2 MolecularWeight: 493.657583

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C24H32FN3O3S2/c1-19-4-10-22(11-5-19)33(30,31)26-23(12-17-32-2)24(29)28-14-3-13-27(15-16-28)18-20-6-8-21(25)9-7-20/h4-11,23,26H,3,12-18H2,1-2H3