[3-[[(3,5-dimethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(3,5-dimethoxyanilino)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(3,5-dimethoxyphenyl)carbamoyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(3,5-dimethoxyphenyl)carbamoyl-isopropyl-amino]methyl]phenyl] ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC2=CC(=CC(=C2)OC)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(C(C)C)C(=O)NC2=CC(=CC(=C2)OC)OC

InChI

InChI=1S/C21H28N2O6S/c1-6-30(25,26)29-18-9-7-8-16(10-18)14-23(15(2)3)21(24)22-17-11-19(27-4)13-20(12-17)28-5/h7-13,15H,6,14H2,1-5H3,(H,22,24)