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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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