1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-naphthalen-2-ylsulfanyl-ethanone Openeye Name: 2-(2-naphthylsulfanyl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-naphthalenylthio)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-naphthalen-2-ylsulfanylethanone Traditional Name: 2-(2-naphthylthio)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C24H26N2O3S2 MolecularWeight: 454.60484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H26N2O3S2/c1-19-7-11-23(12-8-19)31(28,29)26-14-4-13-25(15-16-26)24(27)18-30-22-10-9-20-5-2-3-6-21(20)17-22/h2-3,5-12,17H,4,13-16,18H2,1H3