[3-[[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-acetamidophenyl)sulfonyl-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-acetamidophenyl)sulfonyl-isobutyl-amino]methyl]phenyl] ester Formula: C20H26N2O6S2 MolecularWeight: 454.56024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H26N2O6S2/c1-15(2)13-22(14-17-6-5-7-19(12-17)28-29(4,24)25)30(26,27)20-10-8-18(9-11-20)21-16(3)23/h5-12,15H,13-14H2,1-4H3,(H,21,23)