ethyl 4-[4-(1-thiophen-2-ylethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(1-thiophen-2-ylethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[1-(2-thienyl)ethylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[oxo-(1-thiophen-2-ylethylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(1-thiophen-2-ylethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[1-(2-thienyl)ethylcarbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)C3=CC=CS3

InChI

InChI=1S/C21H26N2O5S2/c1-3-28-21(25)17-6-8-18(9-7-17)30(26,27)23-12-10-16(11-13-23)20(24)22-15(2)19-5-4-14-29-19/h4-9,14-16H,3,10-13H2,1-2H3,(H,22,24)