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

Systemtic Name: 4-methoxy-N-(8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide Openeye Name: 4-methoxy-N-(8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide CAS Name: 4-methoxy-N-[8-(1-pyrrolidinylsulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide IUPAC Name: 4-methoxy-N-(8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide Traditional Name: 4-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=C(C=C1)C(=O)NC2=NC3=C(C4=C(N3)C=CC(=C4)S(=O)(=O)N5CCCC5)N=N2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C4=C(N3)C=CC(=C4)S(=O)(=O)N5CCCC5)N=N2

InChI

InChI=1S/C21H20N6O4S/c1-31-14-6-4-13(5-7-14)20(28)24-21-23-19-18(25-26-21)16-12-15(8-9-17(16)22-19)32(29,30)27-10-2-3-11-27/h4-9,12H,2-3,10-11H2,1H3,(H2,22,23,24,26,28)