4-chloranyl-N-(2-methylpropyl)-3-nitro-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-(2-methylpropyl)-3-nitro-N-[[1-(phenylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide Openeye Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-chloro-N-isobutyl-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-(2-methylpropyl)-3-nitro-N-[[1-(phenylmethyl)-2-pyrrolyl]methyl]benzenesulfonamide IUPAC Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzenesulfonamide Traditional Name: N-[(1-benzylpyrrol-2-yl)methyl]-4-chloro-N-isobutyl-3-nitro-benzenesulfonamide Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC1=CC=CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN(CC1=CC=CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O4S/c1-17(2)14-25(31(29,30)20-10-11-21(23)22(13-20)26(27)28)16-19-9-6-12-24(19)15-18-7-4-3-5-8-18/h3-13,17H,14-16H2,1-2H3