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

Systemtic Name: N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C18H18N6O4S MolecularWeight: 414.43832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=NN3C4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4S/c1-11-8-16(24(25)26)10-17(12(11)2)29(27,28)20-14-5-3-4-13(9-14)18-19-21-22-23(18)15-6-7-15/h3-5,8-10,15,20H,6-7H2,1-2H3