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

Systemtic Name: ethyl 2-azanyl-1-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: ethyl 2-amino-1-[4-methyl-3-(1-piperidylsulfonyl)phenyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-1-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-methyl-3-piperidinosulfonyl-phenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid ethyl ester Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N5O4S/c1-3-34-25(31)21-22-24(28-19-10-6-5-9-18(19)27-22)30(23(21)26)17-12-11-16(2)20(15-17)35(32,33)29-13-7-4-8-14-29/h5-6,9-12,15H,3-4,7-8,13-14,26H2,1-2H3