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

Systemtic Name: N-(5-methyl-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide Openeye Name: N-(5-methyl-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide CAS Name: N-[5-methyl-8-(1-pyrrolidinylsulfonyl)-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide IUPAC Name: N-(5-methyl-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide Traditional Name: N-(5-methyl-8-pyrrolidinosulfonyl-[1,2,4]triazin[5,6-b]indol-3-yl)benzamide Formula: C21H20N6O3S MolecularWeight: 436.4869

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O3S/c1-26-17-10-9-15(31(29,30)27-11-5-6-12-27)13-16(17)18-19(26)22-21(25-24-18)23-20(28)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,22,23,25,28)