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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-oxidanylidene-4-phenyl-1,2,3,4-tetrazol-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-oxo-4-phenyl-tetrazol-1-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(5-oxo-4-phenyl-1-tetrazolyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-oxo-4-phenyltetrazol-1-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-keto-4-phenyl-tetrazol-1-yl)acetamide Formula: C21H24N6O4S MolecularWeight: 456.51806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6O4S/c28-20(16-26-21(29)27(24-23-26)18-8-4-3-5-9-18)22-17-10-12-19(13-11-17)32(30,31)25-14-6-1-2-7-15-25/h3-5,8-13H,1-2,6-7,14-16H2,(H,22,28)