1-(3-ethoxy-4-oxidanyl-phenyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(3-ethoxy-4-oxidanyl-phenyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(3-ethoxy-4-hydroxy-phenyl)-4-[4-(2-thienylsulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(3-ethoxy-4-hydroxyphenyl)-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)butane-1,4-dione IUPAC Name: 1-(3-ethoxy-4-hydroxyphenyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(3-ethoxy-4-hydroxy-phenyl)-4-[4-(2-thienylsulfonyl)piperazino]butane-1,4-dione Formula: C20H24N2O6S2 MolecularWeight: 452.54436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3)O

InChI

InChI=1S/C20H24N2O6S2/c1-2-28-18-14-15(5-6-17(18)24)16(23)7-8-19(25)21-9-11-22(12-10-21)30(26,27)20-4-3-13-29-20/h3-6,13-14,24H,2,7-12H2,1H3