N-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide CAS Name: N-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-3-nitro-benzenesulfonamide Formula: C13H15ClN4O4S MolecularWeight: 358.8006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C=C1Cl)CCCNS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15ClN4O4S/c1-10-13(14)9-17(16-10)7-3-6-15-23(21,22)12-5-2-4-11(8-12)18(19)20/h2,4-5,8-9,15H,3,6-7H2,1H3