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

Systemtic Name: N-[2-[2-azanyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-4-tert-butyl-benzamide Openeye Name: N-[2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-4-tert-butyl-benzamide CAS Name: N-[2-[2-amino-3-(benzenesulfonyl)-1-pyrrolo[3,2-b]quinoxalinyl]ethyl]-4-tert-butylbenzamide IUPAC Name: N-[2-[2-amino-3-(benzenesulfonyl)pyrrolo[3,2-b]quinoxalin-1-yl]ethyl]-4-tert-butylbenzamide Traditional Name: N-[2-(2-amino-3-besyl-pyrrolo[3,2-b]quinoxalin-1-yl)ethyl]-4-tert-butyl-benzamide Formula: C29H29N5O3S MolecularWeight: 527.63726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCN2C(=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)NCCN2C(=C(C3=NC4=CC=CC=C4N=C32)S(=O)(=O)C5=CC=CC=C5)N

InChI

InChI=1S/C29H29N5O3S/c1-29(2,3)20-15-13-19(14-16-20)28(35)31-17-18-34-26(30)25(38(36,37)21-9-5-4-6-10-21)24-27(34)33-23-12-8-7-11-22(23)32-24/h4-16H,17-18,30H2,1-3H3,(H,31,35)