[3-cyano-1-[[2-(3,4-dichlorophenyl)-4-oxidanyl-butyl]-methyl-carbamoyl]naphthalen-2-yl] methanesulfonate

Systemtic Name: [3-cyano-1-[[2-(3,4-dichlorophenyl)-4-oxidanyl-butyl]-methyl-carbamoyl]naphthalen-2-yl] methanesulfonate Openeye Name: [3-cyano-1-[[2-(3,4-dichlorophenyl)-4-hydroxy-butyl]-methyl-carbamoyl]-2-naphthyl] methanesulfonate CAS Name: methanesulfonic acid [3-cyano-1-[[[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-methylamino]-oxomethyl]-2-naphthalenyl] ester IUPAC Name: [3-cyano-1-[[2-(3,4-dichlorophenyl)-4-hydroxybutyl]-methylcarbamoyl]naphthalen-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-cyano-1-[[2-(3,4-dichlorophenyl)-4-hydroxy-butyl]-methyl-carbamoyl]-2-naphthyl] ester Formula: C24H22Cl2N2O5S MolecularWeight: 521.41288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(CCO)C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C(=CC3=CC=CC=C32)C#N)OS(=O)(=O)C

Isomeric SMILES

CN(CC(CCO)C1=CC(=C(C=C1)Cl)Cl)C(=O)C2=C(C(=CC3=CC=CC=C32)C#N)OS(=O)(=O)C

InChI

InChI=1S/C24H22Cl2N2O5S/c1-28(14-17(9-10-29)15-7-8-20(25)21(26)12-15)24(30)22-19-6-4-3-5-16(19)11-18(13-27)23(22)33-34(2,31)32/h3-8,11-12,17,29H,9-10,14H2,1-2H3