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

Systemtic Name: [4-[[(4-acetamidophenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(4-acetamidophenyl)sulfonyl-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-isopropyl-amino]methyl]phenyl] ester Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6S2/c1-5-29(24,25)28-19-10-6-17(7-11-19)14-22(15(2)3)30(26,27)20-12-8-18(9-13-20)21-16(4)23/h6-13,15H,5,14H2,1-4H3,(H,21,23)