N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide

Systemtic Name: N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide Openeye Name: N-(2-cyanoethyl)-3-methoxy-N-(3-pyridylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide CAS Name: N-(2-cyanoethyl)-3-methoxy-N-(3-pyridinylmethyl)-4-(1-tetrazolyl)benzenesulfonamide IUPAC Name: N-(2-cyanoethyl)-3-methoxy-N-(pyridin-3-ylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide Traditional Name: N-(2-cyanoethyl)-3-methoxy-N-(3-pyridylmethyl)-4-(tetrazol-1-yl)benzenesulfonamide Formula: C17H17N7O3S MolecularWeight: 399.42698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N(CCC#N)CC2=CN=CC=C2)N3C=NN=N3

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N(CCC#N)CC2=CN=CC=C2)N3C=NN=N3

InChI

InChI=1S/C17H17N7O3S/c1-27-17-10-15(5-6-16(17)24-13-20-21-22-24)28(25,26)23(9-3-7-18)12-14-4-2-8-19-11-14/h2,4-6,8,10-11,13H,3,9,12H2,1H3