N-[2-[4-[(3-butyl-5-oxidanylidene-1-propan-2-yl-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]sulfonylbenzamide

Systemtic Name: N-[2-[4-[(3-butyl-5-oxidanylidene-1-propan-2-yl-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]sulfonylbenzamide Openeye Name: N-[2-[4-[(3-butyl-1-isopropyl-5-oxo-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]sulfonylbenzamide CAS Name: N-[2-[4-[(3-butyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]sulfonylbenzamide IUPAC Name: N-[2-[4-[(3-butyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]sulfonylbenzamide Traditional Name: N-[2-[4-[(3-butyl-1-isopropyl-5-keto-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]sulfonylbenzamide Formula: C29H32N4O4S MolecularWeight: 532.65378

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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=C4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O4S/c1-4-5-15-27-30-33(21(2)3)29(35)32(27)20-22-16-18-23(19-17-22)25-13-9-10-14-26(25)38(36,37)31-28(34)24-11-7-6-8-12-24/h6-14,16-19,21H,4-5,15,20H2,1-3H3,(H,31,34)