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

Systemtic Name: N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-2-methoxy-5-nitro-benzenesulfonamide Openeye Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methoxy-5-nitro-benzenesulfonamide CAS Name: N-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]-2-methoxy-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methoxy-5-nitrobenzenesulfonamide Traditional Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methoxy-5-nitro-benzenesulfonamide Formula: C17H16N6O5S MolecularWeight: 416.41114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4

InChI

InChI=1S/C17H16N6O5S/c1-28-15-8-7-14(23(24)25)10-16(15)29(26,27)19-12-4-2-3-11(9-12)17-18-20-21-22(17)13-5-6-13/h2-4,7-10,13,19H,5-6H2,1H3