1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-yl-propan-1-one

Systemtic Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-yl-propan-1-one Openeye Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-3-(3-thienyl)propan-1-one CAS Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonyl-1-piperazinyl]-3-(3-thiophenyl)-1-propanone IUPAC Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-ylpropan-1-one Traditional Name: 1-[4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazino]-3-(3-thienyl)propan-1-one Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CSC=C3)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1C)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CSC=C3)C)C

InChI

InChI=1S/C22H30N2O3S2/c1-15-16(2)18(4)22(19(5)17(15)3)29(26,27)24-11-9-23(10-12-24)21(25)7-6-20-8-13-28-14-20/h8,13-14H,6-7,9-12H2,1-5H3