ethyl 2-[2-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonyloxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-chloro-3-(1-piperidylsulfonyl)benzoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-chloro-3-piperidinosulfonyl-benzoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H29ClN2O7S2 MolecularWeight: 569.08996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C25H29ClN2O7S2/c1-2-34-25(31)22-17-8-4-5-9-19(17)36-23(22)27-21(29)15-35-24(30)16-10-11-18(26)20(14-16)37(32,33)28-12-6-3-7-13-28/h10-11,14H,2-9,12-13,15H2,1H3,(H,27,29)