phenyl 4-azanyl-5-oxidanylidene-5-phenylazanyl-pentane-2-sulfonate

Systemtic Name: phenyl 4-azanyl-5-oxidanylidene-5-phenylazanyl-pentane-2-sulfonate Openeye Name: phenyl 4-amino-5-anilino-5-oxo-pentane-2-sulfonate CAS Name: 4-amino-5-anilino-5-oxo-2-pentanesulfonic acid IUPAC Name: phenyl 4-amino-5-anilino-5-oxopentane-2-sulfonate Traditional Name: 4-amino-5-anilino-5-keto-pentane-2-sulfonic acid phenyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)NC1=CC=CC=C1)N)S(=O)(=O)OC2=CC=CC=C2

Isomeric SMILES

CC(CC(C(=O)NC1=CC=CC=C1)N)S(=O)(=O)OC2=CC=CC=C2

InChI

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