[5-[[(4-chlorophenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(4-chlorophenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-chlorophenyl)carbamoyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(4-chloroanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-chlorophenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-chlorophenyl)carbamoyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C21H27ClN2O5S MolecularWeight: 454.96748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=C(C=C2)Cl)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC(C)C)C(=O)NC2=CC=C(C=C2)Cl)OC

InChI

InChI=1S/C21H27ClN2O5S/c1-5-30(26,27)29-20-12-16(6-11-19(20)28-4)14-24(13-15(2)3)21(25)23-18-9-7-17(22)8-10-18/h6-12,15H,5,13-14H2,1-4H3,(H,23,25)