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

Systemtic Name: 4-[[1-(2-methoxyphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-3-nitro-benzenesulfonamide CAS Name: 4-[[1-(2-methoxyphenyl)-5-tetrazolyl]thio]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-4-[[1-(2-methoxyphenyl)tetrazol-5-yl]thio]-3-nitro-benzenesulfonamide Formula: C17H18N6O5S2 MolecularWeight: 450.49202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=NN2C3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O5S2/c1-11(2)19-30(26,27)12-8-9-16(14(10-12)23(24)25)29-17-18-20-21-22(17)13-6-4-5-7-15(13)28-3/h4-11,19H,1-3H3