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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1,2,3,4-tetrazol-1-yl)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(tetrazol-1-yl)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(1-tetrazolyl)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(tetrazol-1-yl)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(tetrazol-1-yl)benzamide Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N6O3S/c1-16-9-10-18(14-20(16)31(29,30)26-11-4-2-3-5-12-26)23-21(28)17-7-6-8-19(13-17)27-15-22-24-25-27/h6-10,13-15H,2-5,11-12H2,1H3,(H,23,28)