4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]carbonylpiperazine-1-sulfonic acid

Systemtic Name: 4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridin-2-yl]carbonylpiperazine-1-sulfonic acid Openeye Name: 4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-sulfonic acid CAS Name: 4-[[7-[(2-methyl-1H-indol-5-yl)amino]-2-thieno[3,2-b]pyridinyl]-oxomethyl]-1-piperazinesulfonic acid IUPAC Name: 4-[7-[(2-methyl-1H-indol-5-yl)amino]thieno[3,2-b]pyridine-2-carbonyl]piperazine-1-sulfonic acid Traditional Name: 4-[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)N5CCN(CC5)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)NC3=C4C(=NC=C3)C=C(S4)C(=O)N5CCN(CC5)S(=O)(=O)O

InChI

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