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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2H-1,2,3,4-tetrazol-5-yl)benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2H-tetrazol-5-yl)benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-3-(2H-tetrazol-5-yl)benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3-(2H-tetrazol-5-yl)benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-(2H-tetrazol-5-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)C4=NNN=N4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)C3=CC=CC(=C3)C4=NNN=N4

InChI

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