3-(phenylsulfonyl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(phenylsulfonyl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(benzenesulfonyl)-1-[4-(3-thienylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(benzenesulfonyl)-1-[4-(3-thiophenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(benzenesulfonyl)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-besyl-1-[4-(3-thenyl)piperazino]propan-1-one Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C(=O)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H22N2O3S2/c21-18(7-13-25(22,23)17-4-2-1-3-5-17)20-10-8-19(9-11-20)14-16-6-12-24-15-16/h1-6,12,15H,7-11,13-14H2