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

Systemtic Name: [4-[[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(4-acetamidophenyl)sulfonyl-isobutyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-isobutyl-amino]methyl]phenyl] ester Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6S2/c1-5-30(25,26)29-20-10-6-18(7-11-20)15-23(14-16(2)3)31(27,28)21-12-8-19(9-13-21)22-17(4)24/h6-13,16H,5,14-15H2,1-4H3,(H,22,24)