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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(5-oxo-4-phenyl-tetrazol-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(5-oxo-4-phenyl-1-tetrazolyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(5-keto-4-phenyl-tetrazol-1-yl)acetamide Formula: C22H26N6O5S MolecularWeight: 486.54404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C(=O)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N6O5S/c1-33-20-12-11-18(34(31,32)26-13-7-2-3-8-14-26)15-19(20)23-21(29)16-27-22(30)28(25-24-27)17-9-5-4-6-10-17/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3,(H,23,29)