ethyl 4-[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3-methylthiophen-2-yl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-methylthiophene-2-carbonyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S2/c1-3-26-19(23)15-4-6-16(7-5-15)28(24,25)21-11-9-20(10-12-21)18(22)17-14(2)8-13-27-17/h4-8,13H,3,9-12H2,1-2H3