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

Systemtic Name: [5-[[(2-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(2-ethoxyphenyl)carbamoyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(2-ethoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(2-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[isobutyl(o-phenetylcarbamoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C23H32N2O6S MolecularWeight: 464.57498

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O6S/c1-6-30-20-11-9-8-10-19(20)24-23(26)25(15-17(3)4)16-18-12-13-21(29-5)22(14-18)31-32(27,28)7-2/h8-14,17H,6-7,15-16H2,1-5H3,(H,24,26)