N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=NC=N3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=NC=N3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N5O3S/c1-17-6-9-19(14-21(17)31(29,30)26-12-4-2-3-5-13-26)25-22(28)18-7-10-20(11-8-18)27-16-23-15-24-27/h6-11,14-16H,2-5,12-13H2,1H3,(H,25,28)