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

Systemtic Name: 4-chloranyl-N-[3-(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[3-(1-cyclopropyl-5-tetrazolyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C16H13ClN6O4S MolecularWeight: 420.83022

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=N2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C(=NN=N2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN6O4S/c17-14-7-6-13(9-15(14)23(24)25)28(26,27)19-11-3-1-2-10(8-11)16-18-20-21-22(16)12-4-5-12/h1-3,6-9,12,19H,4-5H2