[4-[[butan-2-yl-(2,4-dichlorophenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[butan-2-yl-(2,4-dichlorophenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2,4-dichlorobenzoyl)-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[butan-2-yl-[(2,4-dichlorophenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(2,4-dichlorobenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(2,4-dichlorobenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C20H23Cl2NO4S MolecularWeight: 444.37192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCC(C)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)C(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C20H23Cl2NO4S/c1-4-14(3)23(20(24)18-11-8-16(21)12-19(18)22)13-15-6-9-17(10-7-15)27-28(25,26)5-2/h6-12,14H,4-5,13H2,1-3H3