2-[[2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-7-yl]sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[[2,5-bis(oxidanylidene)-3,4-dihydro-1H-1,4-benzodiazepin-7-yl]sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-7-yl)sulfonyl-methyl-amino]acetic acid CAS Name: 2-[(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-7-yl)sulfonyl-methylamino]acetic acid IUPAC Name: 2-[(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-7-yl)sulfonyl-methylamino]acetic acid Traditional Name: 2-[(2,5-diketo-3,4-dihydro-1H-1,4-benzodiazepin-7-yl)sulfonyl-methyl-amino]acetic acid Formula: C12H13N3O6S MolecularWeight: 327.31312

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)CNC2=O

Isomeric SMILES

CN(CC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)NC(=O)CNC2=O

InChI

InChI=1S/C12H13N3O6S/c1-15(6-11(17)18)22(20,21)7-2-3-9-8(4-7)12(19)13-5-10(16)14-9/h2-4H,5-6H2,1H3,(H,13,19)(H,14,16)(H,17,18)