3-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[4-(1-piperidylsulfonyl)phenyl]-1-[4-(2-thienylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]-1-[4-(thiophen-2-ylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-piperidin-1-ylsulfonylphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(4-piperidinosulfonylphenyl)-1-[4-(2-thenyl)piperazino]propan-1-one Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C23H31N3O3S2/c27-23(25-16-14-24(15-17-25)19-21-5-4-18-30-21)11-8-20-6-9-22(10-7-20)31(28,29)26-12-2-1-3-13-26/h4-7,9-10,18H,1-3,8,11-17,19H2