3,5-dimethyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]benzamide Openeye Name: N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-3,5-dimethyl-benzamide CAS Name: 3,5-dimethyl-N-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide Traditional Name: N-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-3,5-dimethyl-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3O4S/c1-17-12-18(2)14-20(13-17)22(27)23-15-21(26)24-8-10-25(11-9-24)30(28,29)16-19-6-4-3-5-7-19/h3-7,12-14H,8-11,15-16H2,1-2H3,(H,23,27)