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

Systemtic Name: 2-azanyl-2-(cyanoiminomethyl)-1-[(3-oxidanyl-3,4-dihydro-2H-chromen-6-yl)sulfonyl]piperidine-3-carboxylic acid Openeye Name: 2-amino-2-(cyanoiminomethyl)-1-(3-hydroxychroman-6-yl)sulfonyl-piperidine-3-carboxylic acid CAS Name: 2-amino-2-(cyanoiminomethyl)-1-[(3-hydroxy-3,4-dihydro-2H-1-benzopyran-6-yl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 2-amino-2-(cyanoiminomethyl)-1-[(3-hydroxy-3,4-dihydro-2H-chromen-6-yl)sulfonyl]piperidine-3-carboxylic acid Traditional Name: 2-amino-2-(cyanoiminomethyl)-1-(3-hydroxychroman-6-yl)sulfonyl-nipecotic acid Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(C3)O)(C=NC#N)N)C(=O)O

Isomeric SMILES

C1CC(C(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(C3)O)(C=NC#N)N)C(=O)O

InChI

InChI=1S/C17H20N4O6S/c18-10-20-9-17(19)14(16(23)24)2-1-5-21(17)28(25,26)13-3-4-15-11(7-13)6-12(22)8-27-15/h3-4,7,9,12,14,22H,1-2,5-6,8,19H2,(H,23,24)