methyl 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylbenzoate

Systemtic Name: methyl 4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)carbonylbenzoate Openeye Name: methyl 4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]benzoate CAS Name: 4-[oxo-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzoate Traditional Name: 4-[4-(2-thienylsulfonyl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S2/c1-24-17(21)14-6-4-13(5-7-14)16(20)18-8-10-19(11-9-18)26(22,23)15-3-2-12-25-15/h2-7,12H,8-11H2,1H3