methyl 3-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[4-(1-piperidylsulfonyl)benzoyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-piperidinosulfonylbenzoyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H22N2O5S2/c1-29-22(26)20-19(17-7-3-4-8-18(17)30-20)23-21(25)15-9-11-16(12-10-15)31(27,28)24-13-5-2-6-14-24/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,23,25)