2-azanyl-3-(cyanoiminomethyl)-2-[(3-oxidanyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]piperazine-1-carboxylic acid

Systemtic Name: 2-azanyl-3-(cyanoiminomethyl)-2-[(3-oxidanyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]piperazine-1-carboxylic acid Openeye Name: 2-amino-3-(cyanoiminomethyl)-2-(3-hydroxychroman-6-yl)sulfonyl-piperazine-1-carboxylic acid CAS Name: 2-amino-3-(cyanoiminomethyl)-2-[(3-hydroxy-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonyl]-1-piperazinecarboxylic acid IUPAC Name: 2-amino-3-(cyanoiminomethyl)-2-[(3-hydroxy-3,4-dihydro-2H-chromen-6-yl)sulfonyl]piperazine-1-carboxylic acid Traditional Name: 2-amino-3-(cyanoiminomethyl)-2-(3-hydroxychroman-6-yl)sulfonyl-piperazine-1-carboxylic acid Formula: C16H19N5O6S MolecularWeight: 409.41696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(N1)C=NC#N)(N)S(=O)(=O)C2=CC3=C(C=C2)OCC(C3)O)C(=O)O

Isomeric SMILES

C1CN(C(C(N1)C=NC#N)(N)S(=O)(=O)C2=CC3=C(C=C2)OCC(C3)O)C(=O)O

InChI

InChI=1S/C16H19N5O6S/c17-9-19-7-14-16(18,21(15(23)24)4-3-20-14)28(25,26)12-1-2-13-10(6-12)5-11(22)8-27-13/h1-2,6-7,11,14,20,22H,3-5,8,18H2,(H,23,24)