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

Systemtic Name: N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: N-isopropyl-4-nitro-N-[[1-(p-tolylmethyl)pyrrol-2-yl]methyl]benzenesulfonamide CAS Name: N-[[1-[(4-methylphenyl)methyl]-2-pyrrolyl]methyl]-4-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-4-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-N-[[1-(4-methylbenzyl)pyrrol-2-yl]methyl]-4-nitro-benzenesulfonamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-17(2)24(30(28,29)22-12-10-20(11-13-22)25(26)27)16-21-5-4-14-23(21)15-19-8-6-18(3)7-9-19/h4-14,17H,15-16H2,1-3H3