3,4-dimethyl-N-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]benzamide Openeye Name: N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-(4-besylpiperazino)-2-keto-ethyl]-3,4-dimethyl-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-16-8-9-18(14-17(16)2)21(26)22-15-20(25)23-10-12-24(13-11-23)29(27,28)19-6-4-3-5-7-19/h3-9,14H,10-13,15H2,1-2H3,(H,22,26)