1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[methyl-(phenylmethyl)amino]ethanone

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[methyl-(phenylmethyl)amino]ethanone Openeye Name: 2-[benzyl(methyl)amino]-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-[methyl-(phenylmethyl)amino]ethanone IUPAC Name: 2-[benzyl(methyl)amino]-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[benzyl(methyl)amino]-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C22H29N3O3S MolecularWeight: 415.54896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3S/c1-18-9-10-19(2)21(15-18)29(27,28)25-13-11-24(12-14-25)22(26)17-23(3)16-20-7-5-4-6-8-20/h4-10,15H,11-14,16-17H2,1-3H3