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

Systemtic Name: (2R)-2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide Openeye Name: (2R)-2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: (2R)-2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: (2R)-2-[(5-phenethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide Traditional Name: (2R)-2-[(5-phenethyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C27H26N6O3S2 MolecularWeight: 546.66374

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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=C4N3CCC5=CC=CC=C5)N=N2

Isomeric SMILES

CC[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NC3=C(C4=CC=CC=C4N3CCC5=CC=CC=C5)N=N2

InChI

InChI=1S/C27H26N6O3S2/c1-2-23(26(34)29-19-12-14-20(15-13-19)38(28,35)36)37-27-30-25-24(31-32-27)21-10-6-7-11-22(21)33(25)17-16-18-8-4-3-5-9-18/h3-15,23H,2,16-17H2,1H3,(H,29,34)(H2,28,35,36)/t23-/m1/s1