[4-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate

Systemtic Name: [4-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Openeye Name: [4-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [4-[[cyclopropyl(ethylcarbamoyl)amino]methyl]phenyl] ester Formula: C16H24N2O4S MolecularWeight: 340.43776

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C2CC2

Isomeric SMILES

CCNC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)C(C)C)C2CC2

InChI

InChI=1S/C16H24N2O4S/c1-4-17-16(19)18(14-7-8-14)11-13-5-9-15(10-6-13)22-23(20,21)12(2)3/h5-6,9-10,12,14H,4,7-8,11H2,1-3H3,(H,17,19)