2-(2,5-dimethylphenyl)sulfanyl-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]ethanamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]acetamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-methoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-methoxy-5-(4-methylpiperazino)sulfonyl-phenyl]acetamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C)OC

InChI

InChI=1S/C22H29N3O4S2/c1-16-5-6-17(2)21(13-16)30-15-22(26)23-19-14-18(7-8-20(19)29-4)31(27,28)25-11-9-24(3)10-12-25/h5-8,13-14H,9-12,15H2,1-4H3,(H,23,26)