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

Systemtic Name: 3-(4-propan-2-ylphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-isopropylphenyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-propan-2-ylphenyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(4-propan-2-ylphenyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-p-cumenyl-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S2/c1-16(2)18-8-5-17(6-9-18)7-10-19(23)21-11-13-22(14-12-21)27(24,25)20-4-3-15-26-20/h3-6,8-9,15-16H,7,10-14H2,1-2H3