[3-[[(4-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-ethoxyphenyl)carbamoyl-isobutyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-ethoxyanilino)-oxomethyl]-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isobutyl(p-phenetylcarbamoyl)amino]methyl]phenyl] ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)CC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)CC(C)C

InChI

InChI=1S/C22H30N2O5S/c1-5-28-20-12-10-19(11-13-20)23-22(25)24(15-17(3)4)16-18-8-7-9-21(14-18)29-30(26,27)6-2/h7-14,17H,5-6,15-16H2,1-4H3,(H,23,25)