methyl 2-[4-[4-(3-ethoxyphenyl)-3-methoxy-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoate

Systemtic Name: methyl 2-[4-[4-(3-ethoxyphenyl)-3-methoxy-phenyl]piperidin-1-yl]sulfonyl-2-methyl-propanoate Openeye Name: methyl 2-[[4-[4-(3-ethoxyphenyl)-3-methoxy-phenyl]-1-piperidyl]sulfonyl]-2-methyl-propanoate CAS Name: 2-[[4-[4-(3-ethoxyphenyl)-3-methoxyphenyl]-1-piperidinyl]sulfonyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-[4-(3-ethoxyphenyl)-3-methoxyphenyl]piperidin-1-yl]sulfonyl-2-methylpropanoate Traditional Name: 2-[4-(3-methoxy-4-m-phenetyl-phenyl)piperidino]sulfonyl-2-methyl-propionic acid methyl ester Formula: C25H33NO6S MolecularWeight: 475.59762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=C(C=C(C=C2)C3CCN(CC3)S(=O)(=O)C(C)(C)C(=O)OC)OC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=C(C=C(C=C2)C3CCN(CC3)S(=O)(=O)C(C)(C)C(=O)OC)OC

InChI

InChI=1S/C25H33NO6S/c1-6-32-21-9-7-8-20(16-21)22-11-10-19(17-23(22)30-4)18-12-14-26(15-13-18)33(28,29)25(2,3)24(27)31-5/h7-11,16-18H,6,12-15H2,1-5H3