methyl 2-[4-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(5-ethyl-2-thienyl)methylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(5-ethyl-2-thiophenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(5-ethyl-2-thienyl)methylcarbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC1=CC=C(S1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

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