N-[2-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-3-methyl-benzamide

Systemtic Name: N-[2-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-3-methyl-benzamide Openeye Name: N-[2-[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-3-methyl-benzamide CAS Name: N-[2-[2-amino-3-(4-methylphenyl)sulfonyl-1-pyrrolo[3,2-b]quinoxalinyl]ethyl]-3-methylbenzamide IUPAC Name: N-[2-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-3-methylbenzamide Traditional Name: N-[2-(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-methyl-benzamide Formula: C27H25N5O3S MolecularWeight: 499.5841

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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)CCNC(=O)C5=CC(=CC=C5)C)N

Isomeric SMILES

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

InChI

InChI=1S/C27H25N5O3S/c1-17-10-12-20(13-11-17)36(34,35)24-23-26(31-22-9-4-3-8-21(22)30-23)32(25(24)28)15-14-29-27(33)19-7-5-6-18(2)16-19/h3-13,16H,14-15,28H2,1-2H3,(H,29,33)