(7R)-6-(4-ethynylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxylic acid

Systemtic Name: (7R)-6-(4-ethynylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxylic acid Openeye Name: (7R)-6-(4-ethynylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxylic acid CAS Name: (7R)-6-(4-ethynylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxylic acid IUPAC Name: (7R)-6-(4-ethynylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxylic acid Traditional Name: (7R)-6-(4-ethynylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazine-7-carboxylic acid Formula: C16H13N3O4S MolecularWeight: 343.35712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)S(=O)(=O)N2CC3=NC=CN=C3CC2C(=O)O

Isomeric SMILES

C#CC1=CC=C(C=C1)S(=O)(=O)N2CC3=NC=CN=C3C[C@@H]2C(=O)O

InChI

InChI=1S/C16H13N3O4S/c1-2-11-3-5-12(6-4-11)24(22,23)19-10-14-13(17-7-8-18-14)9-15(19)16(20)21/h1,3-8,15H,9-10H2,(H,20,21)/t15-/m1/s1