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

Systemtic Name: [4-[[(2-ethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(2-ethoxyphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(2-ethoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isopropyl(o-phenetylcarbamoyl)amino]methyl]phenyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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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)C(C)C

Isomeric SMILES

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

InChI

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