N-[2-chloranyl-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-(3,4-dimethylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-chloranyl-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-(3,4-dimethylphenyl)sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-2-(3,4-dimethylphenyl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2-[(3,4-dimethylphenyl)thio]acetamide IUPAC Name: N-[2-chloro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(3,4-dimethylphenyl)sulfanylacetamide Traditional Name: N-[2-chloro-5-(4-methylpiperazino)sulfonyl-phenyl]-2-[(3,4-dimethylphenyl)thio]acetamide Formula: C21H26ClN3O3S2 MolecularWeight: 468.03244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O3S2/c1-15-4-5-17(12-16(15)2)29-14-21(26)23-20-13-18(6-7-19(20)22)30(27,28)25-10-8-24(3)9-11-25/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)