2-methyl-N-[3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]benzamide

Systemtic Name: 2-methyl-N-[3-oxidanylidene-3-[4-(phenylsulfonyl)piperazin-1-yl]propyl]benzamide Openeye Name: N-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxo-propyl]-2-methyl-benzamide CAS Name: N-[3-[4-(benzenesulfonyl)-1-piperazinyl]-3-oxopropyl]-2-methylbenzamide IUPAC Name: N-[3-[4-(benzenesulfonyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide Traditional Name: N-[3-(4-besylpiperazino)-3-keto-propyl]-2-methyl-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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