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

Systemtic Name: methyl 2-[4-[(5-chloranylthiophen-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(5-chloro-2-thienyl)methylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(5-chloro-2-thiophenyl)methylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(5-chlorothiophen-2-yl)methylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(5-chloro-2-thienyl)methylcarbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C19H21ClN2O5S2 MolecularWeight: 456.96344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(S3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(S3)Cl

InChI

InChI=1S/C19H21ClN2O5S2/c1-27-19(24)15-4-2-3-5-16(15)29(25,26)22-10-8-13(9-11-22)18(23)21-12-14-6-7-17(20)28-14/h2-7,13H,8-12H2,1H3,(H,21,23)