3-(4-methylphenyl)sulfonyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-methylphenyl)sulfonyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(p-tolylsulfonyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-methylphenyl)sulfonyl-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(4-methylphenyl)sulfonyl-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 1-[4-(2-thienylsulfonyl)piperazino]-3-tosyl-propan-1-one Formula: C18H22N2O5S3 MolecularWeight: 442.57268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N2O5S3/c1-15-4-6-16(7-5-15)27(22,23)14-8-17(21)19-9-11-20(12-10-19)28(24,25)18-3-2-13-26-18/h2-7,13H,8-12,14H2,1H3