2-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 3-methylbenzoate

Systemtic Name: 2-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 3-methylbenzoate Openeye Name: 2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid 2-[2-amino-3-(benzenesulfonyl)-1-pyrrolo[3,2-b]quinoxalinyl]ethyl ester IUPAC Name: 2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 2-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl ester Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C26H22N4O4S/c1-17-8-7-9-18(16-17)26(31)34-15-14-30-24(27)23(35(32,33)19-10-3-2-4-11-19)22-25(30)29-21-13-6-5-12-20(21)28-22/h2-13,16H,14-15,27H2,1H3