3,4-dimethyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]sulfonylethyl]benzamide

Systemtic Name: 3,4-dimethyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]sulfonylethyl]benzamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-dimethyl-benzamide CAS Name: 3,4-dimethyl-N-[2-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]ethyl]benzamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-(4-benzylpiperazino)sulfonylethyl]-3,4-dimethyl-benzamide Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-18-8-9-21(16-19(18)2)22(26)23-10-15-29(27,28)25-13-11-24(12-14-25)17-20-6-4-3-5-7-20/h3-9,16H,10-15,17H2,1-2H3,(H,23,26)