N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[1-(2,5-dimethylphenyl)ethyl]benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[1-(2,5-dimethylphenyl)ethyl]benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[1-(2,5-dimethylphenyl)ethyl]benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-[1-(2,5-dimethylphenyl)ethyl]benzamide Formula: C23H29N3O4S MolecularWeight: 443.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4S/c1-16-8-9-17(2)22(14-16)18(3)24-23(28)20-6-5-7-21(15-20)31(29,30)26-12-10-25(11-13-26)19(4)27/h5-9,14-15,18H,10-13H2,1-4H3,(H,24,28)