hexyl 2-azanyl-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: hexyl 2-azanyl-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: hexyl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid hexyl ester IUPAC Name: hexyl 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-[2-(4-sulfamoylphenyl)ethyl]pyrrolo[3,2-b]quinoxaline-3-carboxylic acid hexyl ester Formula: C25H29N5O4S MolecularWeight: 495.59386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=C(C=C4)S(=O)(=O)N)N

Isomeric SMILES

CCCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=C(C=C4)S(=O)(=O)N)N

InChI

InChI=1S/C25H29N5O4S/c1-2-3-4-7-16-34-25(31)21-22-24(29-20-9-6-5-8-19(20)28-22)30(23(21)26)15-14-17-10-12-18(13-11-17)35(27,32)33/h5-6,8-13H,2-4,7,14-16,26H2,1H3,(H2,27,32,33)