methyl 2-[4-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(5-chloranylthiophen-2-yl)methyl-prop-2-enyl-carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[allyl-[(5-chloro-2-thienyl)methyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(5-chloro-2-thiophenyl)methyl-prop-2-enylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(5-chlorothiophen-2-yl)methyl-prop-2-enylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[allyl-[(5-chloro-2-thienyl)methyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H25ClN2O5S2 MolecularWeight: 497.0273

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N(CC=C)CC3=CC=C(S3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N(CC=C)CC3=CC=C(S3)Cl

InChI

InChI=1S/C22H25ClN2O5S2/c1-3-12-24(15-17-8-9-20(23)31-17)21(26)16-10-13-25(14-11-16)32(28,29)19-7-5-4-6-18(19)22(27)30-2/h3-9,16H,1,10-15H2,2H3