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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-phenyltetrazol-2-yl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(5-phenyl-2-tetrazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(5-phenyltetrazol-2-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(5-phenyltetrazol-2-yl)acetamide Formula: C22H26N6O3S MolecularWeight: 454.54524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2N=C(N=N2)C3=CC=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H26N6O3S/c1-17-11-12-19(15-20(17)32(30,31)27-13-7-2-3-8-14-27)23-21(29)16-28-25-22(24-26-28)18-9-5-4-6-10-18/h4-6,9-12,15H,2-3,7-8,13-14,16H2,1H3,(H,23,29)