phenyl 3-azanyl-2-methyl-4-oxidanylidene-4-phenylazanyl-butane-1-sulfonate

Systemtic Name: phenyl 3-azanyl-2-methyl-4-oxidanylidene-4-phenylazanyl-butane-1-sulfonate Openeye Name: phenyl 3-amino-4-anilino-2-methyl-4-oxo-butane-1-sulfonate CAS Name: 3-amino-4-anilino-2-methyl-4-oxo-1-butanesulfonic acid IUPAC Name: phenyl 3-amino-4-anilino-2-methyl-4-oxobutane-1-sulfonate Traditional Name: 3-amino-4-anilino-4-keto-2-methyl-butane-1-sulfonic acid phenyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O4S/c1-13(12-24(21,22)23-15-10-6-3-7-11-15)16(18)17(20)19-14-8-4-2-5-9-14/h2-11,13,16H,12,18H2,1H3,(H,19,20)