[4-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[isopropyl(2-methylpropanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[2-methylpropanoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[isobutyryl(isopropyl)amino]methyl]phenyl] ester Formula: C17H27NO4S MolecularWeight: 341.46558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C(C)C

Isomeric SMILES

CC(C)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C(C)C

InChI

InChI=1S/C17H27NO4S/c1-12(2)17(19)18(13(3)4)11-15-7-9-16(10-8-15)22-23(20,21)14(5)6/h7-10,12-14H,11H2,1-6H3