[4-[[cyclopropyl-(2,6-dimethoxyphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[cyclopropyl-(2,6-dimethoxyphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[cyclopropyl-(2,6-dimethoxybenzoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[cyclopropyl-[(2,6-dimethoxyphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[cyclopropyl-(2,6-dimethoxybenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[cyclopropyl-(2,6-dimethoxybenzoyl)amino]methyl]phenyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=C(C=CC=C3OC)OC

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C21H25NO6S/c1-4-29(24,25)28-17-12-8-15(9-13-17)14-22(16-10-11-16)21(23)20-18(26-2)6-5-7-19(20)27-3/h5-9,12-13,16H,4,10-11,14H2,1-3H3