2-azanyl-2-(phenylsulfonyl)-4-pyridin-2-yl-but-3-ynoic acid

Systemtic Name: 2-azanyl-2-(phenylsulfonyl)-4-pyridin-2-yl-but-3-ynoic acid Openeye Name: 2-amino-2-(benzenesulfonyl)-4-(2-pyridyl)but-3-ynoic acid CAS Name: 2-amino-2-(benzenesulfonyl)-4-(2-pyridinyl)-3-butynoic acid IUPAC Name: 2-amino-2-(benzenesulfonyl)-4-pyridin-2-ylbut-3-ynoic acid Traditional Name: 2-amino-2-besyl-4-(2-pyridyl)but-3-ynoic acid Formula: C15H12N2O4S MolecularWeight: 316.33178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C(C#CC2=CC=CC=N2)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C(C#CC2=CC=CC=N2)(C(=O)O)N

InChI

InChI=1S/C15H12N2O4S/c16-15(14(18)19,10-9-12-6-4-5-11-17-12)22(20,21)13-7-2-1-3-8-13/h1-8,11H,16H2,(H,18,19)