1-(5-methylthiophen-2-yl)-7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]heptane-1,4,7-trione

Systemtic Name: 1-(5-methylthiophen-2-yl)-7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]heptane-1,4,7-trione Openeye Name: 1-(5-methyl-2-thienyl)-7-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]heptane-1,4,7-trione CAS Name: 1-(5-methyl-2-thiophenyl)-7-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]heptane-1,4,7-trione IUPAC Name: 1-(5-methylthiophen-2-yl)-7-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]heptane-1,4,7-trione Traditional Name: 1-(5-methyl-2-thienyl)-7-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]heptane-1,4,7-trione Formula: C21H26N2O5S3 MolecularWeight: 482.63654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)C

InChI

InChI=1S/C21H26N2O5S3/c1-15-3-8-19(29-15)18(25)7-5-17(24)6-9-20(26)22-11-13-23(14-12-22)31(27,28)21-10-4-16(2)30-21/h3-4,8,10H,5-7,9,11-14H2,1-2H3