2-methoxy-N-(5-methyl-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide

Systemtic Name: 2-methoxy-N-(5-methyl-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide Openeye Name: 2-methoxy-N-(5-methyl-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide CAS Name: 2-methoxy-N-[5-methyl-8-(1-pyrrolidinylsulfonyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide IUPAC Name: 2-methoxy-N-(5-methyl-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide Traditional Name: 2-methoxy-N-(5-methyl-8-pyrrolidinosulfonyl-[1,2,4]triazin[5,6-b]indol-3-yl)benzamide Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C4=C1N=C(N=N4)NC(=O)C5=CC=CC=C5OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C4=C1N=C(N=N4)NC(=O)C5=CC=CC=C5OC

InChI

InChI=1S/C22H22N6O4S/c1-27-17-10-9-14(33(30,31)28-11-5-6-12-28)13-16(17)19-20(27)23-22(26-25-19)24-21(29)15-7-3-4-8-18(15)32-2/h3-4,7-10,13H,5-6,11-12H2,1-2H3,(H,23,24,26,29)