3-nitro-4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]benzenesulfonamide

Systemtic Name: 3-nitro-4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]benzenesulfonamide Openeye Name: 3-nitro-4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]benzenesulfonamide CAS Name: 3-nitro-4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]benzenesulfonamide IUPAC Name: 3-nitro-4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]benzenesulfonamide Traditional Name: 3-nitro-4-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylamino]benzenesulfonamide Formula: C16H16N6O4S MolecularWeight: 388.40104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=NC=N2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)N2C=NC=N2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H16N6O4S/c1-11(12-2-4-13(5-3-12)21-10-18-9-19-21)20-15-7-6-14(27(17,25)26)8-16(15)22(23)24/h2-11,20H,1H3,(H2,17,25,26)