(3S)-4-oxidanyl-4-oxidanylidene-3-(phenylsulfonylamino)butanoate; (2R)-piperazin-4-ium-2-carboxylic acid

Systemtic Name: (3S)-4-oxidanyl-4-oxidanylidene-3-(phenylsulfonylamino)butanoate; (2R)-piperazin-4-ium-2-carboxylic acid Openeye Name: (3S)-3-(benzenesulfonamido)-4-hydroxy-4-oxo-butanoate; (2R)-piperazin-4-ium-2-carboxylic acid CAS Name: (3S)-3-(benzenesulfonamido)-4-hydroxy-4-oxobutanoate; (2R)-2-piperazin-4-iumcarboxylic acid IUPAC Name: (3S)-3-(benzenesulfonamido)-4-hydroxy-4-oxobutanoate; (2R)-piperazin-4-ium-2-carboxylic acid Traditional Name: (3S)-3-(benzenesulfonamido)-4-hydroxy-4-keto-butyrate; (2R)-piperazin-4-ium-2-carboxylic acid Formula: C15H21N3O8S MolecularWeight: 403.40754

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C[NH2+]1)C(=O)O.C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)[O-])C(=O)O

Isomeric SMILES

C1CN[C@H](C[NH2+]1)C(=O)O.C1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC(=O)[O-])C(=O)O

InChI

InChI=1S/C10H11NO6S.C5H10N2O2/c12-9(13)6-8(10(14)15)11-18(16,17)7-4-2-1-3-5-7;8-5(9)4-3-6-1-2-7-4/h1-5,8,11H,6H2,(H,12,13)(H,14,15);4,6-7H,1-3H2,(H,8,9)/t8-;4-/m01/s1