N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(1,2,3,4-tetrazol-1-yl)benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(1,2,3,4-tetrazol-1-yl)benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(tetrazol-1-yl)benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(1-tetrazolyl)benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(tetrazol-1-yl)benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(tetrazol-1-yl)benzamide Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=CC=C3)N4C=NN=N4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC(=CC=C3)N4C=NN=N4

InChI

InChI=1S/C21H24N6O4S/c1-31-20-10-9-18(32(29,30)26-11-4-2-3-5-12-26)14-19(20)23-21(28)16-7-6-8-17(13-16)27-15-22-24-25-27/h6-10,13-15H,2-5,11-12H2,1H3,(H,23,28)