methyl 2-azanyl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: methyl 2-azanyl-1-(4-piperidin-1-ylsulfonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: methyl 2-amino-1-[4-(1-piperidylsulfonyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[4-(1-piperidinylsulfonyl)phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-1-(4-piperidin-1-ylsulfonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-piperidinosulfonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid methyl ester Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)N

Isomeric SMILES

COC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5)N

InChI

InChI=1S/C23H23N5O4S/c1-32-23(29)19-20-22(26-18-8-4-3-7-17(18)25-20)28(21(19)24)15-9-11-16(12-10-15)33(30,31)27-13-5-2-6-14-27/h3-4,7-12H,2,5-6,13-14,24H2,1H3