N-[1-butyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-2-chloranyl-benzamide

Systemtic Name: N-[1-butyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-2-chloranyl-benzamide Openeye Name: N-[3-(benzenesulfonyl)-1-butyl-pyrrolo[3,2-b]quinoxalin-2-yl]-2-chloro-benzamide CAS Name: N-[3-(benzenesulfonyl)-1-butyl-2-pyrrolo[3,2-b]quinoxalinyl]-2-chlorobenzamide IUPAC Name: N-[3-(benzenesulfonyl)-1-butylpyrrolo[3,2-b]quinoxalin-2-yl]-2-chlorobenzamide Traditional Name: N-(3-besyl-1-butyl-pyrrolo[3,2-b]quinoxalin-2-yl)-2-chloro-benzamide Formula: C27H23ClN4O3S MolecularWeight: 519.01452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

CCCCN1C(=C(C2=NC3=CC=CC=C3N=C21)S(=O)(=O)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H23ClN4O3S/c1-2-3-17-32-25-23(29-21-15-9-10-16-22(21)30-25)24(36(34,35)18-11-5-4-6-12-18)26(32)31-27(33)19-13-7-8-14-20(19)28/h4-16H,2-3,17H2,1H3,(H,31,33)