[2-methoxy-5-[[(4-methylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [2-methoxy-5-[[(4-methylphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [5-[[isopropyl(p-tolylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[[(4-methylanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[(4-methylphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isopropyl(p-tolylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-6-29(25,26)28-20-13-17(9-12-19(20)27-5)14-23(15(2)3)21(24)22-18-10-7-16(4)8-11-18/h7-13,15H,6,14H2,1-5H3,(H,22,24)