(3Z)-3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole

Systemtic Name: (3Z)-3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole Openeye Name: (3Z)-3-[[5-(4-bromophenyl)-2-furyl]methylene]-4,6-dinitro-1-(p-tolylsulfonyl)indoline CAS Name: (3Z)-3-[[5-(4-bromophenyl)-2-furanyl]methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole IUPAC Name: (3Z)-3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-1-(4-methylphenyl)sulfonyl-4,6-dinitro-2H-indole Traditional Name: (3Z)-3-[[5-(4-bromophenyl)-2-furyl]methylene]-4,6-dinitro-1-tosyl-indoline Formula: C26H18BrN3O7S MolecularWeight: 596.40602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC=C(O3)C4=CC=C(C=C4)Br)C5=C(C=C(C=C52)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C/C(=C\C3=CC=C(O3)C4=CC=C(C=C4)Br)/C5=C(C=C(C=C52)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H18BrN3O7S/c1-16-2-9-22(10-3-16)38(35,36)28-15-18(26-23(28)13-20(29(31)32)14-24(26)30(33)34)12-21-8-11-25(37-21)17-4-6-19(27)7-5-17/h2-14H,15H2,1H3/b18-12+