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

Systemtic Name: 3-methyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl]benzamide Openeye Name: N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[2-(4-benzylsulfonylpiperazino)-2-keto-ethyl]-3-methyl-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-17-6-5-9-19(14-17)21(26)22-15-20(25)23-10-12-24(13-11-23)29(27,28)16-18-7-3-2-4-8-18/h2-9,14H,10-13,15-16H2,1H3,(H,22,26)