N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2,4-dimethylphenyl)-5-methyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(2,4-dimethylphenyl)-5-methyl-4-triazolecarboxamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(2,4-dimethylphenyl)-5-methyltriazole-4-carboxamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(2,4-dimethylphenyl)-5-methyl-triazole-4-carboxamide Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2N=C(C(=N2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCCC4)OC)C)C

InChI

InChI=1S/C25H31N5O4S/c1-17-9-11-22(18(2)15-17)30-27-19(3)24(28-30)25(31)26-21-16-20(10-12-23(21)34-4)35(32,33)29-13-7-5-6-8-14-29/h9-12,15-16H,5-8,13-14H2,1-4H3,(H,26,31)