2-azanyl-N-(4-methylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide

Systemtic Name: 2-azanyl-N-(4-methylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Openeye Name: 2-amino-1-[4-(1-piperidylsulfonyl)phenyl]-N-(p-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide CAS Name: 2-amino-N-(4-methylphenyl)-1-[4-(1-piperidinylsulfonyl)phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxamide IUPAC Name: 2-amino-N-(4-methylphenyl)-1-(4-piperidin-1-ylsulfonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Traditional Name: 2-amino-1-(4-piperidinosulfonylphenyl)-N-(p-tolyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide Formula: C29H28N6O3S MolecularWeight: 540.63602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)S(=O)(=O)N6CCCCC6)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)C5=CC=C(C=C5)S(=O)(=O)N6CCCCC6)N

InChI

InChI=1S/C29H28N6O3S/c1-19-9-11-20(12-10-19)31-29(36)25-26-28(33-24-8-4-3-7-23(24)32-26)35(27(25)30)21-13-15-22(16-14-21)39(37,38)34-17-5-2-6-18-34/h3-4,7-16H,2,5-6,17-18,30H2,1H3,(H,31,36)