N-[3-[(4-butylphenyl)amino]-6-methyl-quinoxalin-2-yl]-4-chloranyl-benzenesulfonamide

Systemtic Name: N-[3-[(4-butylphenyl)amino]-6-methyl-quinoxalin-2-yl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[3-(4-butylanilino)-6-methyl-quinoxalin-2-yl]-4-chloro-benzenesulfonamide CAS Name: N-[3-(4-butylanilino)-6-methyl-2-quinoxalinyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[3-(4-butylanilino)-6-methylquinoxalin-2-yl]-4-chlorobenzenesulfonamide Traditional Name: N-[3-(4-butylanilino)-6-methyl-quinoxalin-2-yl]-4-chloro-benzenesulfonamide Formula: C25H25ClN4O2S MolecularWeight: 481.0096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C)N=C2NS(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C)N=C2NS(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25ClN4O2S/c1-3-4-5-18-7-11-20(12-8-18)27-24-25(28-22-15-6-17(2)16-23(22)29-24)30-33(31,32)21-13-9-19(26)10-14-21/h6-16H,3-5H2,1-2H3,(H,27,29)(H,28,30)