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

Systemtic Name: ethyl 2-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H27ClN2O5S2 MolecularWeight: 511.05388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O5S2/c1-2-31-23(28)20-16-8-4-5-9-19(16)32-22(20)25-21(27)17-14-15(10-11-18(17)24)33(29,30)26-12-6-3-7-13-26/h10-11,14H,2-9,12-13H2,1H3,(H,25,27)