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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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