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

Systemtic Name: [3-[[(4-acetamidophenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-acetamidophenyl)sulfonyl-isopropyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-acetamidophenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-acetamidophenyl)sulfonyl-isopropyl-amino]methyl]phenyl] ester Formula: C19H24N2O6S2 MolecularWeight: 440.53366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O6S2/c1-14(2)21(13-16-6-5-7-18(12-16)27-28(4,23)24)29(25,26)19-10-8-17(9-11-19)20-15(3)22/h5-12,14H,13H2,1-4H3,(H,20,22)