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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-ethyl-1,2,3,4-tetrazol-5-yl)phenyl]benzenesulfonamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-ethyltetrazol-5-yl)phenyl]benzenesulfonamide CAS Name: 4-(1-azepanylsulfonyl)-N-[2-(2-ethyl-5-tetrazolyl)phenyl]benzenesulfonamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-ethyltetrazol-5-yl)phenyl]benzenesulfonamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[2-(2-ethyltetrazol-5-yl)phenyl]benzenesulfonamide Formula: C21H26N6O4S2 MolecularWeight: 490.59894

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Descriptors Computed from Structure

Canonical SMILES:

CCN1N=C(N=N1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCN1N=C(N=N1)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H26N6O4S2/c1-2-27-23-21(22-25-27)19-9-5-6-10-20(19)24-32(28,29)17-11-13-18(14-12-17)33(30,31)26-15-7-3-4-8-16-26/h5-6,9-14,24H,2-4,7-8,15-16H2,1H3