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

Systemtic Name: ethyl 4-[4-(2-thiophen-2-ylethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[2-(2-thienyl)ethylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[oxo-(2-thiophen-2-ylethylamino)methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-thiophen-2-ylethylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(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)NCCC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C21H26N2O5S2/c1-2-28-21(25)17-5-7-19(8-6-17)30(26,27)23-13-10-16(11-14-23)20(24)22-12-9-18-4-3-15-29-18/h3-8,15-16H,2,9-14H2,1H3,(H,22,24)