[4-[[2-methoxyethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methoxyethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[2-methoxyethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methoxyethyl-[[4-(methylthio)anilino]-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methoxyethyl-[(4-methylsulfanylphenyl)carbamoyl]amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[2-methoxyethyl-[[4-(methylthio)phenyl]carbamoyl]amino]methyl]phenyl] ester Formula: C20H26N2O5S2 MolecularWeight: 438.56084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S2/c1-4-29(24,25)27-18-9-5-16(6-10-18)15-22(13-14-26-2)20(23)21-17-7-11-19(28-3)12-8-17/h5-12H,4,13-15H2,1-3H3,(H,21,23)