[5-[[[(2S)-butan-2-yl]-(propan-2-ylcarbamoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate

Systemtic Name: [5-[[[(2S)-butan-2-yl]-(propan-2-ylcarbamoyl)amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate Openeye Name: [5-[[isopropylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [5-[[[(2S)-butan-2-yl]-(propan-2-ylcarbamoyl)amino]methyl]-2-methoxyphenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [5-[[isopropylcarbamoyl-[(1S)-1-methylpropyl]amino]methyl]-2-methoxy-phenyl] ester Formula: C19H32N2O5S MolecularWeight: 400.53278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=C(C=C1)OC)OS(=O)(=O)C(C)C)C(=O)NC(C)C

InChI

InChI=1S/C19H32N2O5S/c1-8-15(6)21(19(22)20-13(2)3)12-16-9-10-17(25-7)18(11-16)26-27(23,24)14(4)5/h9-11,13-15H,8,12H2,1-7H3,(H,20,22)/t15-/m0/s1