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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O4S/c1-7-15(6)20(18(21)19-13(2)3)12-16-9-8-10-17(11-16)24-25(22,23)14(4)5/h8-11,13-15H,7,12H2,1-6H3,(H,19,21)