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

Systemtic Name: 4-chloranyl-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-chloro-N-isopropyl-3-nitro-N-[[1-(p-tolylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide CAS Name: 4-chloro-N-[[1-[(4-methylphenyl)methyl]-2-pyrrolyl]methyl]-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: 4-chloro-N-isopropyl-N-[[1-(4-methylbenzyl)pyrrol-2-yl]methyl]-3-nitro-benzenesulfonamide Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC=C2CN(C(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CC=C2CN(C(C)C)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H24ClN3O4S/c1-16(2)25(31(29,30)20-10-11-21(23)22(13-20)26(27)28)15-19-5-4-12-24(19)14-18-8-6-17(3)7-9-18/h4-13,16H,14-15H2,1-3H3