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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(5-phenyltetrazol-2-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(5-phenyl-2-tetrazolyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(5-phenyltetrazol-2-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(5-phenyltetrazol-2-yl)acetamide Formula: C22H26N6O4S MolecularWeight: 470.54464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3N=C(N=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3N=C(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H26N6O4S/c1-32-20-12-11-18(33(30,31)27-13-7-2-3-8-14-27)15-19(20)23-21(29)16-28-25-22(24-26-28)17-9-5-4-6-10-17/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3,(H,23,29)