methyl 4-[4-pyridin-3-yl-6-(thiophen-2-ylsulfonylamino)-9H-pyrido[2,3-b]indol-3-yl]benzoate

Systemtic Name: methyl 4-[4-pyridin-3-yl-6-(thiophen-2-ylsulfonylamino)-9H-pyrido[2,3-b]indol-3-yl]benzoate Openeye Name: methyl 4-[4-(3-pyridyl)-6-(2-thienylsulfonylamino)-9H-pyrido[2,3-b]indol-3-yl]benzoate CAS Name: 4-[4-(3-pyridinyl)-6-(thiophen-2-ylsulfonylamino)-9H-pyrido[2,3-b]indol-3-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-pyridin-3-yl-6-(thiophen-2-ylsulfonylamino)-9H-pyrido[2,3-b]indol-3-yl]benzoate Traditional Name: 4-[4-(3-pyridyl)-6-(2-thienylsulfonylamino)-9H-pyrid[2,3-b]indol-3-yl]benzoic acid methyl ester Formula: C28H20N4O4S2 MolecularWeight: 540.6128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CN=C3C(=C2C4=CN=CC=C4)C5=C(N3)C=CC(=C5)NS(=O)(=O)C6=CC=CS6

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CN=C3C(=C2C4=CN=CC=C4)C5=C(N3)C=CC(=C5)NS(=O)(=O)C6=CC=CS6

InChI

InChI=1S/C28H20N4O4S2/c1-36-28(33)18-8-6-17(7-9-18)22-16-30-27-26(25(22)19-4-2-12-29-15-19)21-14-20(10-11-23(21)31-27)32-38(34,35)24-5-3-13-37-24/h2-16,32H,1H3,(H,30,31)