2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(5-chloranylthiophen-2-yl)methyl-ethyl-amino]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-chloro-2-thienyl)methyl-ethyl-amino]ethanone CAS Name: 2-[(5-chloro-2-thiophenyl)methyl-ethylamino]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(5-chlorothiophen-2-yl)methyl-ethylamino]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(5-chloro-2-thienyl)methyl-ethyl-amino]ethanone Formula: C20H26ClN3O3S2 MolecularWeight: 456.02174

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Cl)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=C(S1)Cl)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H26ClN3O3S2/c1-2-22(14-18-8-9-19(21)28-18)15-20(25)23-10-12-24(13-11-23)29(26,27)16-17-6-4-3-5-7-17/h3-9H,2,10-16H2,1H3