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

Systemtic Name: [3-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[ethylcarbamoyl(2-methylpropyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[ethylcarbamoyl(isobutyl)amino]methyl]phenyl] ester Formula: C17H28N2O4S MolecularWeight: 356.48022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O4S/c1-6-18-17(20)19(11-13(2)3)12-15-8-7-9-16(10-15)23-24(21,22)14(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,18,20)