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

Systemtic Name: 4-chloranyl-3-nitro-N-phenyl-N-[(1-propyl-1,2,3,4-tetrazol-5-yl)methyl]benzenesulfonamide Openeye Name: 4-chloro-3-nitro-N-phenyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide CAS Name: 4-chloro-3-nitro-N-phenyl-N-[(1-propyl-5-tetrazolyl)methyl]benzenesulfonamide IUPAC Name: 4-chloro-3-nitro-N-phenyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide Traditional Name: 4-chloro-3-nitro-N-phenyl-N-[(1-propyltetrazol-5-yl)methyl]benzenesulfonamide Formula: C17H17ClN6O4S MolecularWeight: 436.87268

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=NN=N1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN6O4S/c1-2-10-22-17(19-20-21-22)12-23(13-6-4-3-5-7-13)29(27,28)14-8-9-15(18)16(11-14)24(25)26/h3-9,11H,2,10,12H2,1H3