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

Systemtic Name: methyl 4-chloranyl-3-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[[1-(2-thienylsulfonyl)nipecotoyl]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)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H19ClN2O5S2/c1-26-18(23)12-6-7-14(19)15(10-12)20-17(22)13-4-2-8-21(11-13)28(24,25)16-5-3-9-27-16/h3,5-7,9-10,13H,2,4,8,11H2,1H3,(H,20,22)