[4-[[cyclopropyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[cyclopropyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[cyclopropyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[cyclopropyl(3-methylbutanoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[cyclopropyl(isovaleryl)amino]methyl]phenyl] ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4S/c1-13(2)11-18(20)19(16-7-8-16)12-15-5-9-17(10-6-15)23-24(21,22)14(3)4/h5-6,9-10,13-14,16H,7-8,11-12H2,1-4H3