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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetamide Formula: C19H22N6O4S2 MolecularWeight: 462.54578

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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=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C19H22N6O4S2/c26-17(14-24-19(27)25(22-21-24)18-6-5-13-30-18)20-15-7-9-16(10-8-15)31(28,29)23-11-3-1-2-4-12-23/h5-10,13H,1-4,11-12,14H2,(H,20,26)