4-chloranyl-N-[2-methyl-1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[2-methyl-1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[1,1-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanyl-ethyl]benzenesulfonamide CAS Name: 4-chloro-N-[2-methyl-1-[(1-phenyl-5-tetrazolyl)thio]propan-2-yl]benzenesulfonamide IUPAC Name: 4-chloro-N-[2-methyl-1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-yl]benzenesulfonamide Traditional Name: 4-chloro-N-[1,1-dimethyl-2-[(1-phenyltetrazol-5-yl)thio]ethyl]benzenesulfonamide Formula: C17H18ClN5O2S2 MolecularWeight: 423.94012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC1=NN=NN1C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(CSC1=NN=NN1C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN5O2S2/c1-17(2,20-27(24,25)15-10-8-13(18)9-11-15)12-26-16-19-21-22-23(16)14-6-4-3-5-7-14/h3-11,20H,12H2,1-2H3