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

Systemtic Name: 2-methoxy-N-(8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide Openeye Name: 2-methoxy-N-(8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide CAS Name: 2-methoxy-N-[8-(1-pyrrolidinylsulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide IUPAC Name: 2-methoxy-N-(8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide Traditional Name: 2-methoxy-N-(8-pyrrolidinosulfonyl-5H-[1,2,4]triazin[5,6-b]indol-3-yl)benzamide Formula: C21H20N6O4S MolecularWeight: 452.4863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=NC3=C(C4=C(N3)C=CC(=C4)S(=O)(=O)N5CCCC5)N=N2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=NC3=C(C4=C(N3)C=CC(=C4)S(=O)(=O)N5CCCC5)N=N2

InChI

InChI=1S/C21H20N6O4S/c1-31-17-7-3-2-6-14(17)20(28)24-21-23-19-18(25-26-21)15-12-13(8-9-16(15)22-19)32(29,30)27-10-4-5-11-27/h2-3,6-9,12H,4-5,10-11H2,1H3,(H2,22,23,24,26,28)