4-tert-butyl-N-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-oxo-3-[4-(p-tolylsulfonyl)piperazin-1-yl]propyl]benzamide CAS Name: 4-tert-butyl-N-[3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-(4-tosylpiperazino)propyl]benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H33N3O4S/c1-19-5-11-22(12-6-19)33(31,32)28-17-15-27(16-18-28)23(29)13-14-26-24(30)20-7-9-21(10-8-20)25(2,3)4/h5-12H,13-18H2,1-4H3,(H,26,30)