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

Systemtic Name: N-[1-butyl-3-(phenylsulfonyl)pyrrolo[3,2-b]quinoxalin-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(benzenesulfonyl)-1-butyl-pyrrolo[3,2-b]quinoxalin-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(benzenesulfonyl)-1-butyl-2-pyrrolo[3,2-b]quinoxalinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(benzenesulfonyl)-1-butylpyrrolo[3,2-b]quinoxalin-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-(3-besyl-1-butyl-pyrrolo[3,2-b]quinoxalin-2-yl)-4-methyl-benzenesulfonamide Formula: C27H26N4O4S2 MolecularWeight: 534.64974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O4S2/c1-3-4-18-31-26-24(28-22-12-8-9-13-23(22)29-26)25(36(32,33)20-10-6-5-7-11-20)27(31)30-37(34,35)21-16-14-19(2)15-17-21/h5-17,30H,3-4,18H2,1-2H3