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

Systemtic Name: N-[2-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-3-bromanyl-benzamide Openeye Name: N-[2-[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-3-bromo-benzamide CAS Name: N-[2-[2-amino-3-(4-methylphenyl)sulfonyl-1-pyrrolo[3,2-b]quinoxalinyl]ethyl]-3-bromobenzamide IUPAC Name: N-[2-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-3-bromobenzamide Traditional Name: N-[2-(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-3-bromo-benzamide Formula: C26H22BrN5O3S MolecularWeight: 564.45358

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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)Br)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)Br)N

InChI

InChI=1S/C26H22BrN5O3S/c1-16-9-11-19(12-10-16)36(34,35)23-22-25(31-21-8-3-2-7-20(21)30-22)32(24(23)28)14-13-29-26(33)17-5-4-6-18(27)15-17/h2-12,15H,13-14,28H2,1H3,(H,29,33)