2-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 4-tert-butylbenzoate

Systemtic Name: 2-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 4-tert-butylbenzoate Openeye Name: 2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic 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 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid 2-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl ester Formula: C29H28N4O4S MolecularWeight: 528.62202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28N4O4S/c1-29(2,3)20-15-13-19(14-16-20)28(34)37-18-17-33-26(30)25(38(35,36)21-9-5-4-6-10-21)24-27(33)32-23-12-8-7-11-22(23)31-24/h4-16H,17-18,30H2,1-3H3