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

Systemtic Name: [4-[[(4-acetamidophenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-acetamidophenyl)sulfonyl-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-acetamidophenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-acetamidophenyl)sulfonyl-isoamyl-amino]methyl]phenyl] ester Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6S2/c1-16(2)13-14-23(15-18-5-9-20(10-6-18)29-30(4,25)26)31(27,28)21-11-7-19(8-12-21)22-17(3)24/h5-12,16H,13-15H2,1-4H3,(H,22,24)