2-(4-methylphenyl)sulfonyl-4-phenethyl-pyrazino[2,3-b]indol-3-amine

Systemtic Name: 2-(4-methylphenyl)sulfonyl-4-phenethyl-pyrazino[2,3-b]indol-3-amine Openeye Name: 4-phenethyl-2-(p-tolylsulfonyl)pyrazino[2,3-b]indol-3-amine CAS Name: 2-(4-methylphenyl)sulfonyl-4-phenethyl-3-pyrazino[2,3-b]indolamine IUPAC Name: 2-(4-methylphenyl)sulfonyl-4-phenethylpyrazino[2,3-b]indol-3-amine Traditional Name: (4-phenethyl-2-tosyl-pyrazin[2,3-b]indol-3-yl)amine Formula: C25H22N4O2S MolecularWeight: 442.53278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4C3=N2)CCC5=CC=CC=C5)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4C3=N2)CCC5=CC=CC=C5)N

InChI

InChI=1S/C25H22N4O2S/c1-17-11-13-19(14-12-17)32(30,31)25-23(26)29(16-15-18-7-3-2-4-8-18)24-22(28-25)20-9-5-6-10-21(20)27-24/h2-14H,15-16,26H2,1H3