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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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