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

Systemtic Name: 4-tert-butyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propyl]benzamide Openeye Name: N-[3-(4-benzylsulfonylpiperazin-1-yl)-3-oxo-propyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[3-oxo-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propyl]benzamide IUPAC Name: N-[3-(4-benzylsulfonylpiperazin-1-yl)-3-oxopropyl]-4-tert-butylbenzamide Traditional Name: N-[3-(4-benzylsulfonylpiperazino)-3-keto-propyl]-4-tert-butyl-benzamide Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O4S/c1-25(2,3)22-11-9-21(10-12-22)24(30)26-14-13-23(29)27-15-17-28(18-16-27)33(31,32)19-20-7-5-4-6-8-20/h4-12H,13-19H2,1-3H3,(H,26,30)