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

Systemtic Name: N-[2-[2-azanyl-3-(4-methylphenyl)sulfonyl-pyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-4-tert-butyl-benzamide Openeye Name: N-[2-[2-amino-3-(p-tolylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-4-tert-butyl-benzamide CAS Name: N-[2-[2-amino-3-(4-methylphenyl)sulfonyl-1-pyrrolo[3,2-b]quinoxalinyl]ethyl]-4-tert-butylbenzamide IUPAC Name: N-[2-[2-amino-3-(4-methylphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-4-tert-butylbenzamide Traditional Name: N-[2-(2-amino-3-tosyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-tert-butyl-benzamide Formula: C30H31N5O3S MolecularWeight: 541.66384

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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=C(C=C5)C(C)(C)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=C(C=C5)C(C)(C)C)N

InChI

InChI=1S/C30H31N5O3S/c1-19-9-15-22(16-10-19)39(37,38)26-25-28(34-24-8-6-5-7-23(24)33-25)35(27(26)31)18-17-32-29(36)20-11-13-21(14-12-20)30(2,3)4/h5-16H,17-18,31H2,1-4H3,(H,32,36)