methyl 4-[4-[3-methyl-4-(3-pentan-3-yloxyphenyl)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate

Systemtic Name: methyl 4-[4-[3-methyl-4-(3-pentan-3-yloxyphenyl)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: methyl 4-[[4-[4-[3-(1-ethylpropoxy)phenyl]-3-methyl-phenyl]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-[3-methyl-4-(3-pentan-3-yloxyphenyl)phenyl]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[3-methyl-4-(3-pentan-3-yloxyphenyl)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-[4-[3-(1-ethylpropoxy)phenyl]-3-methyl-phenyl]piperidino]sulfonyltetrahydropyran-4-carboxylic acid methyl ester Formula: C30H41NO6S MolecularWeight: 543.71464

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=CC=CC(=C1)C2=C(C=C(C=C2)C3CCN(CC3)S(=O)(=O)C4(CCOCC4)C(=O)OC)C

Isomeric SMILES

CCC(CC)OC1=CC=CC(=C1)C2=C(C=C(C=C2)C3CCN(CC3)S(=O)(=O)C4(CCOCC4)C(=O)OC)C

InChI

InChI=1S/C30H41NO6S/c1-5-26(6-2)37-27-9-7-8-25(21-27)28-11-10-24(20-22(28)3)23-12-16-31(17-13-23)38(33,34)30(29(32)35-4)14-18-36-19-15-30/h7-11,20-21,23,26H,5-6,12-19H2,1-4H3