(2R)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: (2R)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide Openeye Name: (2R)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: (2R)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: (2R)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide Traditional Name: (2R)-2-[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C20H20N6O3S2 MolecularWeight: 456.5412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=C(C4=CC=CC=C4N3C)N=N2

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=C(C4=CC=CC=C4N3C)N=N2

InChI

InChI=1S/C20H20N6O3S2/c1-3-16(19(27)22-12-8-10-13(11-9-12)31(21,28)29)30-20-23-18-17(24-25-20)14-6-4-5-7-15(14)26(18)2/h4-11,16H,3H2,1-2H3,(H,22,27)(H2,21,28,29)/t16-/m1/s1