1-(4-methylsulfonylpiperazin-1-yl)-2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]ethanone

Systemtic Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]ethanone Openeye Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]ethanone CAS Name: 1-(4-methylsulfonyl-1-piperazinyl)-2-[(5-methyl-2-thiophenyl)methyl-phenethylamino]ethanone IUPAC Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-[(5-methylthiophen-2-yl)methyl-phenethylamino]ethanone Traditional Name: 1-(4-mesylpiperazino)-2-[(5-methyl-2-thienyl)methyl-phenethyl-amino]ethanone Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C21H29N3O3S2/c1-18-8-9-20(28-18)16-22(11-10-19-6-4-3-5-7-19)17-21(25)23-12-14-24(15-13-23)29(2,26)27/h3-9H,10-17H2,1-2H3