methyl 4-chloranyl-3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-[(E)-styryl]sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-[1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[[1-[(E)-styryl]sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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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)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O5S/c1-30-22(27)18-7-8-19(23)20(15-18)24-21(26)17-9-12-25(13-10-17)31(28,29)14-11-16-5-3-2-4-6-16/h2-8,11,14-15,17H,9-10,12-13H2,1H3,(H,24,26)/b14-11+