N-[[4-(aminomethyl)phenyl]methyl]-2-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-nitro-N-(2-pyridylmethyl)benzenesulfonamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-nitro-N-(2-pyridinylmethyl)benzenesulfonamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-nitro-N-(pyridin-2-ylmethyl)benzenesulfonamide Traditional Name: N-[4-(aminomethyl)benzyl]-2-nitro-N-(2-pyridylmethyl)benzenesulfonamide Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N(CC2=CC=C(C=C2)CN)CC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)N(CC2=CC=C(C=C2)CN)CC3=CC=CC=N3

InChI

InChI=1S/C20H20N4O4S/c21-13-16-8-10-17(11-9-16)14-23(15-18-5-3-4-12-22-18)29(27,28)20-7-2-1-6-19(20)24(25)26/h1-12H,13-15,21H2