methyl 2-[4-[(3-methoxy-3-oxidanylidene-1-thiophen-2-yl-propyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(3-methoxy-3-oxidanylidene-1-thiophen-2-yl-propyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[3-methoxy-3-oxo-1-(2-thienyl)propyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(3-methoxy-3-oxo-1-thiophen-2-ylpropyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[3-keto-3-methoxy-1-(2-thienyl)propyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H26N2O7S2/c1-30-20(25)14-17(18-7-5-13-32-18)23-21(26)15-9-11-24(12-10-15)33(28,29)19-8-4-3-6-16(19)22(27)31-2/h3-8,13,15,17H,9-12,14H2,1-2H3,(H,23,26)