[5-[[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-acetamidophenyl)sulfonyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-acetamidophenyl)sulfonyl-isobutyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C22H30N2O7S2 MolecularWeight: 498.6128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O7S2/c1-6-32(26,27)31-22-13-18(7-12-21(22)30-5)15-24(14-16(2)3)33(28,29)20-10-8-19(9-11-20)23-17(4)25/h7-13,16H,6,14-15H2,1-5H3,(H,23,25)