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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(1,2,3,4-tetrazol-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(tetrazol-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(1-tetrazolyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(tetrazol-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(tetrazol-1-yl)acetamide Formula: C16H22N6O4S MolecularWeight: 394.44868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C=NN=N3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C=NN=N3

InChI

InChI=1S/C16H22N6O4S/c1-26-15-7-6-13(27(24,25)22-8-4-2-3-5-9-22)10-14(15)18-16(23)11-21-12-17-19-20-21/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,18,23)