methyl 2-[(5-heptyl-1H-1,2,4-triazol-3-yl)sulfonyl-phenyl-methyl]benzoate

Systemtic Name: methyl 2-[(5-heptyl-1H-1,2,4-triazol-3-yl)sulfonyl-phenyl-methyl]benzoate Openeye Name: methyl 2-[(5-heptyl-1H-1,2,4-triazol-3-yl)sulfonyl-phenyl-methyl]benzoate CAS Name: 2-[(5-heptyl-1H-1,2,4-triazol-3-yl)sulfonyl-phenylmethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-heptyl-1H-1,2,4-triazol-3-yl)sulfonyl-phenylmethyl]benzoate Traditional Name: 2-[(5-heptyl-1H-1,2,4-triazol-3-yl)sulfonyl-phenyl-methyl]benzoic acid methyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC(=NN1)S(=O)(=O)C(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCCCCCC1=NC(=NN1)S(=O)(=O)C(C2=CC=CC=C2)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H29N3O4S/c1-3-4-5-6-10-17-21-25-24(27-26-21)32(29,30)22(18-13-8-7-9-14-18)19-15-11-12-16-20(19)23(28)31-2/h7-9,11-16,22H,3-6,10,17H2,1-2H3,(H,25,26,27)