1-methyl-5-nitro-4-[1-(phenylsulfonyl)propyl]benzotriazole

Systemtic Name: 1-methyl-5-nitro-4-[1-(phenylsulfonyl)propyl]benzotriazole Openeye Name: 4-[1-(benzenesulfonyl)propyl]-1-methyl-5-nitro-benzotriazole CAS Name: 4-[1-(benzenesulfonyl)propyl]-1-methyl-5-nitrobenzotriazole IUPAC Name: 4-[1-(benzenesulfonyl)propyl]-1-methyl-5-nitrobenzotriazole Traditional Name: 4-(1-besylpropyl)-1-methyl-5-nitro-benzotriazole Formula: C16H16N4O4S MolecularWeight: 360.38764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC2=C1N=NN2C)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C1=C(C=CC2=C1N=NN2C)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O4S/c1-3-14(25(23,24)11-7-5-4-6-8-11)15-12(20(21)22)9-10-13-16(15)17-18-19(13)2/h4-10,14H,3H2,1-2H3