methyl 4-chloranyl-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[[1-(2-thienylsulfonyl)isonipecotoyl]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)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H19ClN2O5S2/c1-26-18(23)13-4-5-14(19)15(11-13)20-17(22)12-6-8-21(9-7-12)28(24,25)16-3-2-10-27-16/h2-5,10-12H,6-9H2,1H3,(H,20,22)