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

Systemtic Name: [3-[[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[(4-chlorophenyl)sulfonyl-isobutyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-chlorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[(4-chlorophenyl)sulfonyl-isobutyl-amino]methyl]phenyl] ester Formula: C18H22ClNO5S2 MolecularWeight: 431.95398

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClNO5S2/c1-14(2)12-20(27(23,24)18-9-7-16(19)8-10-18)13-15-5-4-6-17(11-15)25-26(3,21)22/h4-11,14H,12-13H2,1-3H3