(3E)-3-[[3,5-dimethyl-4-(4-methylpiperazin-1-yl)carbonyl-1H-pyrrol-2-yl]methylidene]-2-oxidanylidene-1H-indole-5-sulfonic acid

Systemtic Name: (3E)-3-[[3,5-dimethyl-4-(4-methylpiperazin-1-yl)carbonyl-1H-pyrrol-2-yl]methylidene]-2-oxidanylidene-1H-indole-5-sulfonic acid Openeye Name: (3E)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylene]-2-oxo-indoline-5-sulfonic acid CAS Name: (3E)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)-oxomethyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonic acid IUPAC Name: (3E)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonic acid Traditional Name: (3E)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylene]-2-keto-indoline-5-sulfonic acid Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)C=C3C4=C(C=CC(=C4)S(=O)(=O)O)NC3=O

Isomeric SMILES

CC1=C(NC(=C1C(=O)N2CCN(CC2)C)C)/C=C/3\C4=C(C=CC(=C4)S(=O)(=O)O)NC3=O

InChI

InChI=1S/C21H24N4O5S/c1-12-18(22-13(2)19(12)21(27)25-8-6-24(3)7-9-25)11-16-15-10-14(31(28,29)30)4-5-17(15)23-20(16)26/h4-5,10-11,22H,6-9H2,1-3H3,(H,23,26)(H,28,29,30)/b16-11+