ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]carbonylamino]-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-chlorophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(4-chlorophenyl)sulfonylisonipecotoyl]amino]benzothiophene-3-carboxylic acid ethyl ester Formula: C23H23ClN2O5S2 MolecularWeight: 507.02212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN2O5S2/c1-2-31-23(28)20-18-5-3-4-6-19(18)32-22(20)25-21(27)15-11-13-26(14-12-15)33(29,30)17-9-7-16(24)8-10-17/h3-10,15H,2,11-14H2,1H3,(H,25,27)