N-[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-(4-methylphenyl)sulfonyl-phenyl]ethanamide

Systemtic Name: N-[5-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-2-(4-methylphenyl)sulfonyl-phenyl]ethanamide Openeye Name: N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(p-tolylsulfonyl)phenyl]acetamide CAS Name: N-[5-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-2-(4-methylphenyl)sulfonylphenyl]acetamide IUPAC Name: N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)sulfonylphenyl]acetamide Traditional Name: N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-tosyl-phenyl]acetamide Formula: C28H31N3O4S MolecularWeight: 505.62844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC(=C4C)C)NC(=O)C

InChI

InChI=1S/C28H31N3O4S/c1-19-8-11-24(12-9-19)36(34,35)27-13-10-23(18-25(27)29-22(4)32)28(33)31-16-14-30(15-17-31)26-7-5-6-20(2)21(26)3/h5-13,18H,14-17H2,1-4H3,(H,29,32)