methyl 4-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]-2,3-dihydrothiophene-5-carboxylate

Systemtic Name: methyl 4-[(4-piperidin-1-ylsulfonylphenyl)carbonylamino]-2,3-dihydrothiophene-5-carboxylate Openeye Name: methyl 4-[[4-(1-piperidylsulfonyl)benzoyl]amino]-2,3-dihydrothiophene-5-carboxylate CAS Name: 4-[[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-2,3-dihydrothiophene-5-carboxylate Traditional Name: 4-[(4-piperidinosulfonylbenzoyl)amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CCS1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=C(CCS1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H22N2O5S2/c1-25-18(22)16-15(9-12-26-16)19-17(21)13-5-7-14(8-6-13)27(23,24)20-10-3-2-4-11-20/h5-8H,2-4,9-12H2,1H3,(H,19,21)