2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]carbonylpiperazine-1-sulfonic acid

Systemtic Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]carbonylpiperazine-1-sulfonic acid Openeye Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-sulfonic acid CAS Name: 2-[[7-[(2-methyl-1H-indol-5-yl)amino]-2-thieno[3,2-b]pyridinyl]-oxomethyl]-1-piperazinesulfonic acid IUPAC Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-sulfonic acid Traditional Name: 2-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-sulfonic acid Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C(=O)C5CNCCN5S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C(=O)C5CNCCN5S(=O)(=O)O

InChI

InChI=1S/C21H21N5O4S2/c1-12-8-13-9-14(2-3-15(13)24-12)25-16-4-5-23-17-10-19(31-21(16)17)20(27)18-11-22-6-7-26(18)32(28,29)30/h2-5,8-10,18,22,24H,6-7,11H2,1H3,(H,23,25)(H,28,29,30)