(3S)-3-methoxy-2-oxidanylidene-3-[(2-phenyl-2-sulfo-ethanoyl)amino]azetidine-1-sulfonic acid

Systemtic Name: (3S)-3-methoxy-2-oxidanylidene-3-[(2-phenyl-2-sulfo-ethanoyl)amino]azetidine-1-sulfonic acid Openeye Name: (3S)-3-methoxy-2-oxo-3-[(2-phenyl-2-sulfo-acetyl)amino]azetidine-1-sulfonic acid CAS Name: (3S)-3-methoxy-2-oxo-3-[(1-oxo-2-phenyl-2-sulfoethyl)amino]-1-azetidinesulfonic acid IUPAC Name: (3S)-3-methoxy-2-oxo-3-[(2-phenyl-2-sulfoacetyl)amino]azetidine-1-sulfonic acid Traditional Name: (3S)-2-keto-3-methoxy-3-[(2-phenyl-2-sulfo-acetyl)amino]azetidine-1-sulfonic acid Formula: C12H14N2O9S2 MolecularWeight: 394.37756

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CN(C1=O)S(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

CO[C@]1(CN(C1=O)S(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C12H14N2O9S2/c1-23-12(7-14(11(12)16)25(20,21)22)13-10(15)9(24(17,18)19)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,13,15)(H,17,18,19)(H,20,21,22)/t9?,12-/m0/s1