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

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(p-tolylsulfonyl)-1-[4-(3-thienylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-methylphenyl)sulfonyl-1-[4-(3-thiophenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 1-[4-(3-thenyl)piperazino]-3-tosyl-propan-1-one Formula: C19H24N2O3S2 MolecularWeight: 392.53546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C19H24N2O3S2/c1-16-2-4-18(5-3-16)26(23,24)13-7-19(22)21-10-8-20(9-11-21)14-17-6-12-25-15-17/h2-6,12,15H,7-11,13-14H2,1H3