1,4-bis(azanyl)-3-oxidanylidene-5-phenyl-pentane-2-sulfonic acid

Systemtic Name: 1,4-bis(azanyl)-3-oxidanylidene-5-phenyl-pentane-2-sulfonic acid Openeye Name: 1,4-diamino-3-oxo-5-phenyl-pentane-2-sulfonic acid CAS Name: 1,4-diamino-3-oxo-5-phenyl-2-pentanesulfonic acid IUPAC Name: 1,4-diamino-3-oxo-5-phenylpentane-2-sulfonic acid Traditional Name: 1,4-diamino-3-keto-5-phenyl-pentane-2-sulfonic acid Formula: C11H16N2O4S MolecularWeight: 272.32074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(CN)S(=O)(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C(CN)S(=O)(=O)O)N

InChI

InChI=1S/C11H16N2O4S/c12-7-10(18(15,16)17)11(14)9(13)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,12-13H2,(H,15,16,17)