phenyl 2-azanyl-2-methyl-3-oxidanylidene-3-phenylazanyl-propane-1-sulfonate

Systemtic Name: phenyl 2-azanyl-2-methyl-3-oxidanylidene-3-phenylazanyl-propane-1-sulfonate Openeye Name: phenyl 2-amino-3-anilino-2-methyl-3-oxo-propane-1-sulfonate CAS Name: 2-amino-3-anilino-2-methyl-3-oxo-1-propanesulfonic acid IUPAC Name: phenyl 2-amino-3-anilino-2-methyl-3-oxopropane-1-sulfonate Traditional Name: 2-amino-3-anilino-3-keto-2-methyl-propane-1-sulfonic acid phenyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)OC1=CC=CC=C1)(C(=O)NC2=CC=CC=C2)N

Isomeric SMILES

CC(CS(=O)(=O)OC1=CC=CC=C1)(C(=O)NC2=CC=CC=C2)N

InChI

InChI=1S/C16H18N2O4S/c1-16(17,15(19)18-13-8-4-2-5-9-13)12-23(20,21)22-14-10-6-3-7-11-14/h2-11H,12,17H2,1H3,(H,18,19)