2-[methyl(1-thiophen-2-ylethyl)amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[methyl(1-thiophen-2-ylethyl)amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[methyl-[1-(2-thienyl)ethyl]amino]ethanone CAS Name: 2-[methyl(1-thiophen-2-ylethyl)amino]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[methyl-[1-(2-thienyl)ethyl]amino]ethanone Formula: C20H27N3O3S2 MolecularWeight: 421.57668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)N(C)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CS1)N(C)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O3S2/c1-17(19-9-6-14-27-19)21(2)15-20(24)22-10-12-23(13-11-22)28(25,26)16-18-7-4-3-5-8-18/h3-9,14,17H,10-13,15-16H2,1-2H3