4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-[(1-cyclopropyl-5-tetrazolyl)thio]-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(2,4-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[(1-cyclopropyltetrazol-5-yl)thio]-N-(2,4-dimethylphenyl)-3-nitro-benzenesulfonamide Formula: C18H18N6O4S2 MolecularWeight: 446.50332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4CC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC3=NN=NN3C4CC4)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N6O4S2/c1-11-3-7-15(12(2)9-11)20-30(27,28)14-6-8-17(16(10-14)24(25)26)29-18-19-21-22-23(18)13-4-5-13/h3,6-10,13,20H,4-5H2,1-2H3