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

Systemtic Name: N-[1-butyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-4-chloranyl-benzamide Openeye Name: N-[3-(benzenesulfonyl)-1-butyl-pyrrolo[3,2-b]quinoxalin-2-yl]-4-chloro-benzamide CAS Name: N-[3-(benzenesulfonyl)-1-butyl-2-pyrrolo[3,2-b]quinoxalinyl]-4-chlorobenzamide IUPAC Name: N-[3-(benzenesulfonyl)-1-butylpyrrolo[3,2-b]quinoxalin-2-yl]-4-chlorobenzamide Traditional Name: N-(3-besyl-1-butyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-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=C(C=C5)Cl

Isomeric SMILES

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

InChI

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