4-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzamide

Systemtic Name: 4-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-yl]carbonylbenzamide Openeye Name: 4-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]benzamide CAS Name: 4-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzamide IUPAC Name: 4-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazine-1-carbonyl]benzamide Traditional Name: 4-[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazine-1-carbonyl]benzamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)N)C)C(C)(C)C

InChI

InChI=1S/C24H31N3O4S/c1-16-14-20(24(3,4)5)15-17(2)21(16)32(30,31)27-12-10-26(11-13-27)23(29)19-8-6-18(7-9-19)22(25)28/h6-9,14-15H,10-13H2,1-5H3,(H2,25,28)