N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-yl]ethanamide

Systemtic Name: N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-pyrrolo[3,2-b]quinoxalin-2-yl]ethanamide Openeye Name: N-[1-phenethyl-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]acetamide CAS Name: N-[3-(4-methylphenyl)sulfonyl-1-phenethyl-2-pyrrolo[3,2-b]quinoxalinyl]acetamide IUPAC Name: N-[3-(4-methylphenyl)sulfonyl-1-phenethylpyrrolo[3,2-b]quinoxalin-2-yl]acetamide Traditional Name: N-(1-phenethyl-3-tosyl-pyrrolo[3,2-b]quinoxalin-2-yl)acetamide Formula: C27H24N4O3S MolecularWeight: 484.56946

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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=C4N=C23)CCC5=CC=CC=C5)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCC5=CC=CC=C5)NC(=O)C

InChI

InChI=1S/C27H24N4O3S/c1-18-12-14-21(15-13-18)35(33,34)25-24-26(30-23-11-7-6-10-22(23)29-24)31(27(25)28-19(2)32)17-16-20-8-4-3-5-9-20/h3-15H,16-17H2,1-2H3,(H,28,32)