methyl 4-chloranyl-3-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(3-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[3-(1-piperidylsulfonyl)thiophene-2-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(3-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(3-piperidinosulfonylthiophene-2-carbonyl)amino]benzoic acid methyl ester Formula: C18H19ClN2O5S2 MolecularWeight: 442.93686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H19ClN2O5S2/c1-26-18(23)12-5-6-13(19)14(11-12)20-17(22)16-15(7-10-27-16)28(24,25)21-8-3-2-4-9-21/h5-7,10-11H,2-4,8-9H2,1H3,(H,20,22)