methyl 4-chloranyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoate

Systemtic Name: methyl 4-chloranyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoate Openeye Name: methyl 4-chloro-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoate Traditional Name: 4-chloro-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzoic acid methyl ester Formula: C19H18ClNO4S MolecularWeight: 391.86852

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClNO4S/c1-25-19(22)16-7-8-17(20)18(13-16)26(23,24)21-11-9-15(10-12-21)14-5-3-2-4-6-14/h2-9,13H,10-12H2,1H3