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

Systemtic Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[4-(1,2,3,4-tetrazol-1-yl)phenyl]benzamide Openeye Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide CAS Name: 5-(1-azepanylsulfonyl)-2-methoxy-N-[4-(1-tetrazolyl)phenyl]benzamide IUPAC Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]benzamide Traditional Name: 5-(azepan-1-ylsulfonyl)-2-methoxy-N-[4-(tetrazol-1-yl)phenyl]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)C(=O)NC3=CC=C(C=C3)N4C=NN=N4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NC3=CC=C(C=C3)N4C=NN=N4

InChI

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