pentyl 2-[(4-methylphenyl)sulfonylamino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: pentyl 2-[(4-methylphenyl)sulfonylamino]-1-phenethyl-pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: pentyl 1-phenethyl-2-(p-tolylsulfonylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-1-phenethyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid pentyl ester IUPAC Name: pentyl 2-[(4-methylphenyl)sulfonylamino]-1-phenethylpyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 1-phenethyl-2-(tosylamino)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid amyl ester Formula: C31H32N4O4S MolecularWeight: 556.67518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CCCCCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)CCC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C31H32N4O4S/c1-3-4-10-21-39-31(36)27-28-30(33-26-14-9-8-13-25(26)32-28)35(20-19-23-11-6-5-7-12-23)29(27)34-40(37,38)24-17-15-22(2)16-18-24/h5-9,11-18,34H,3-4,10,19-21H2,1-2H3