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

Systemtic Name: [5-[[(2-ethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(2-ethoxyphenyl)carbamoyl-isopropyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(2-ethoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isopropyl(o-phenetylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C22H30N2O6S MolecularWeight: 450.5484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)C(C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)N(CC2=CC(=C(C=C2)OC)OS(=O)(=O)CC)C(C)C

InChI

InChI=1S/C22H30N2O6S/c1-6-29-19-11-9-8-10-18(19)23-22(25)24(16(3)4)15-17-12-13-20(28-5)21(14-17)30-31(26,27)7-2/h8-14,16H,6-7,15H2,1-5H3,(H,23,25)