N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-2,4-dinitro-benzenesulfonamide

Systemtic Name: N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-2,4-dinitro-benzenesulfonamide Openeye Name: N-(2-methoxyethyl)-2,4-dinitro-N-[[1-(p-tolylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide CAS Name: N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]-2-pyrrolyl]methyl]-2,4-dinitrobenzenesulfonamide IUPAC Name: N-(2-methoxyethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-2,4-dinitrobenzenesulfonamide Traditional Name: N-(2-methoxyethyl)-N-[[1-(4-methylbenzyl)pyrrol-2-yl]methyl]-2,4-dinitro-benzenesulfonamide Formula: C22H24N4O7S MolecularWeight: 488.51356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O7S/c1-17-5-7-18(8-6-17)15-23-11-3-4-20(23)16-24(12-13-33-2)34(31,32)22-10-9-19(25(27)28)14-21(22)26(29)30/h3-11,14H,12-13,15-16H2,1-2H3