[3-[[2-methylpropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [3-[[2-methylpropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[isobutyl(isopropylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[2-methylpropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[isobutyl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C18H30N2O4S MolecularWeight: 370.5068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C(C)C)C(=O)NC(C)C

Isomeric SMILES

CC(C)CN(CC1=CC(=CC=C1)OS(=O)(=O)C(C)C)C(=O)NC(C)C

InChI

InChI=1S/C18H30N2O4S/c1-13(2)11-20(18(21)19-14(3)4)12-16-8-7-9-17(10-16)24-25(22,23)15(5)6/h7-10,13-15H,11-12H2,1-6H3,(H,19,21)