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

Systemtic Name: [4-[[(4-acetamidophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-acetamidophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-acetamidophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C20H26N2O7S2 MolecularWeight: 470.55964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C20H26N2O7S2/c1-16(23)21-18-7-11-20(12-8-18)31(26,27)22(13-4-14-28-2)15-17-5-9-19(10-6-17)29-30(3,24)25/h5-12H,4,13-15H2,1-3H3,(H,21,23)