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

Systemtic Name: N-[2-[4-[[1-(5-azanyl-2-chloranyl-phenyl)-3-butyl-5-oxidanylidene-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-phenoxy-benzamide Openeye Name: N-[2-[4-[[1-(5-amino-2-chloro-phenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-phenoxy-benzamide CAS Name: N-[2-[4-[[1-(5-amino-2-chlorophenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-phenoxybenzamide IUPAC Name: N-[2-[4-[[1-(5-amino-2-chlorophenyl)-3-butyl-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-phenoxybenzamide Traditional Name: N-[2-[4-[[1-(5-amino-2-chloro-phenyl)-3-butyl-5-keto-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonyl-2-phenoxy-benzamide Formula: C38H34ClN5O5S MolecularWeight: 708.22506

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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=C4OC5=CC=CC=C5)C6=C(C=CC(=C6)N)Cl

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4=CC=CC=C4OC5=CC=CC=C5)C6=C(C=CC(=C6)N)Cl

InChI

InChI=1S/C38H34ClN5O5S/c1-2-3-17-36-41-44(33-24-28(40)22-23-32(33)39)38(46)43(36)25-26-18-20-27(21-19-26)30-13-8-10-16-35(30)50(47,48)42-37(45)31-14-7-9-15-34(31)49-29-11-5-4-6-12-29/h4-16,18-24H,2-3,17,25,40H2,1H3,(H,42,45)