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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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