[4-[[(4-methoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[(4-methoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isopropyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(4-methoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-methoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isopropyl-[(4-methoxyphenyl)carbamoyl]amino]methyl]phenyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-5-28(24,25)27-19-10-6-16(7-11-19)14-22(15(2)3)20(23)21-17-8-12-18(26-4)13-9-17/h6-13,15H,5,14H2,1-4H3,(H,21,23)