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

Systemtic Name: 4-chloranyl-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(1,5-dimethyl-2-pyrrolyl)methyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-nitro-benzenesulfonamide Formula: C13H14ClN3O4S MolecularWeight: 343.78596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(N1C)CNS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN3O4S/c1-9-3-4-10(16(9)2)8-15-22(20,21)11-5-6-12(14)13(7-11)17(18)19/h3-7,15H,8H2,1-2H3