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

Systemtic Name: N-(8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide Openeye Name: N-(8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide CAS Name: N-[8-(1-pyrrolidinylsulfonyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]benzamide IUPAC Name: N-(8-pyrrolidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)benzamide Traditional Name: N-(8-pyrrolidinosulfonyl-5H-[1,2,4]triazin[5,6-b]indol-3-yl)benzamide Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC4=C3N=NC(=N4)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)NC4=C3N=NC(=N4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C20H18N6O3S/c27-19(13-6-2-1-3-7-13)23-20-22-18-17(24-25-20)15-12-14(8-9-16(15)21-18)30(28,29)26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11H2,(H2,21,22,23,25,27)