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

Systemtic Name: N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4

InChI

InChI=1S/C17H16N6O4S/c1-11-5-6-15(23(24)25)10-16(11)28(26,27)19-13-4-2-3-12(9-13)17-18-20-21-22(17)14-7-8-14/h2-6,9-10,14,19H,7-8H2,1H3