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

Systemtic Name: [3-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [3-[[ethylcarbamoyl(isopropyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [3-[[ethylcarbamoyl(propan-2-yl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [3-[[ethylcarbamoyl(isopropyl)amino]methyl]phenyl] ester Formula: C16H26N2O4S MolecularWeight: 342.45364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O4S/c1-6-17-16(19)18(12(2)3)11-14-8-7-9-15(10-14)22-23(20,21)13(4)5/h7-10,12-13H,6,11H2,1-5H3,(H,17,19)