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

Systemtic Name: [4-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[cyclopropyl(2-methylpropanoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[cyclopropyl(isobutyryl)amino]methyl]phenyl] ester Formula: C17H25NO4S MolecularWeight: 339.4497

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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)C2CC2

Isomeric SMILES

CC(C)C(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C2CC2

InChI

InChI=1S/C17H25NO4S/c1-12(2)17(19)18(15-7-8-15)11-14-5-9-16(10-6-14)22-23(20,21)13(3)4/h5-6,9-10,12-13,15H,7-8,11H2,1-4H3