(3E)-3-[(3-methyl-4-piperidin-1-ylcarbonyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indole-5-sulfonic acid

Systemtic Name: (3E)-3-[(3-methyl-4-piperidin-1-ylcarbonyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-1H-indole-5-sulfonic acid Openeye Name: (3E)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylene]-2-oxo-indoline-5-sulfonic acid CAS Name: (3E)-3-[[3-methyl-4-[oxo(1-piperidinyl)methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonic acid IUPAC Name: (3E)-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-sulfonic acid Traditional Name: (3E)-2-keto-3-[[3-methyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl]methylene]indoline-5-sulfonic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=C1C(=O)N2CCCCC2)C=C3C4=C(C=CC(=C4)S(=O)(=O)O)NC3=O

Isomeric SMILES

CC1=C(NC=C1C(=O)N2CCCCC2)/C=C/3\C4=C(C=CC(=C4)S(=O)(=O)O)NC3=O

InChI

InChI=1S/C20H21N3O5S/c1-12-16(20(25)23-7-3-2-4-8-23)11-21-18(12)10-15-14-9-13(29(26,27)28)5-6-17(14)22-19(15)24/h5-6,9-11,21H,2-4,7-8H2,1H3,(H,22,24)(H,26,27,28)/b15-10+