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

Systemtic Name: 3-chloranyl-N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-methyl-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-chloro-N-[(1,5-dimethyl-2-pyrrolyl)methyl]-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-methyl-5-nitro-benzenesulfonamide Formula: C14H16ClN3O4S MolecularWeight: 357.81254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O4S/c1-9-4-5-11(17(9)3)8-16-23(21,22)12-6-13(15)10(2)14(7-12)18(19)20/h4-7,16H,8H2,1-3H3