N-[3-[(4-butylphenyl)amino]-6,7-dimethyl-quinoxalin-2-yl]-3-chloranyl-benzenesulfonamide

Systemtic Name: N-[3-[(4-butylphenyl)amino]-6,7-dimethyl-quinoxalin-2-yl]-3-chloranyl-benzenesulfonamide Openeye Name: N-[3-(4-butylanilino)-6,7-dimethyl-quinoxalin-2-yl]-3-chloro-benzenesulfonamide CAS Name: N-[3-(4-butylanilino)-6,7-dimethyl-2-quinoxalinyl]-3-chlorobenzenesulfonamide IUPAC Name: N-[3-(4-butylanilino)-6,7-dimethylquinoxalin-2-yl]-3-chlorobenzenesulfonamide Traditional Name: N-[3-(4-butylanilino)-6,7-dimethyl-quinoxalin-2-yl]-3-chloro-benzenesulfonamide Formula: C26H27ClN4O2S MolecularWeight: 495.03618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN4O2S/c1-4-5-7-19-10-12-21(13-11-19)28-25-26(30-24-15-18(3)17(2)14-23(24)29-25)31-34(32,33)22-9-6-8-20(27)16-22/h6,8-16H,4-5,7H2,1-3H3,(H,28,29)(H,30,31)