N-[2-[4-[[1-(3-aminophenyl)-3-butyl-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chloranyl-benzamide

Systemtic Name: N-[2-[4-[[1-(3-aminophenyl)-3-butyl-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chloranyl-benzamide Openeye Name: N-[2-[4-[[1-(3-aminophenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chloro-benzamide CAS Name: N-[2-[4-[[1-(3-aminophenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide IUPAC Name: N-[2-[4-[[1-(3-aminophenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chlorobenzamide Traditional Name: N-[2-[4-[[1-(3-aminophenyl)-3-butyl-5-keto-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-chloro-benzamide Formula: C32H30ClN5O4S MolecularWeight: 616.1297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC=CC=C4Cl)C5=CC(=CC=C5)N

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC=CC=C4Cl)C5=CC(=CC=C5)N

InChI

InChI=1S/C32H30ClN5O4S/c1-2-3-15-30-35-38(25-10-8-9-24(34)20-25)32(40)37(30)21-22-16-18-23(19-17-22)26-11-5-7-14-29(26)43(41,42)36-31(39)27-12-4-6-13-28(27)33/h4-14,16-20H,2-3,15,21,34H2,1H3,(H,36,39)