methyl 4-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-1-methyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidin-1-yl]sulfonyl-1-methyl-piperidine-4-carboxylate Openeye Name: methyl 4-[[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]-1-piperidyl]sulfonyl]-1-methyl-piperidine-4-carboxylate CAS Name: 4-[[4-[4-(3-methoxyphenyl)-3-methylphenyl]-1-piperidinyl]sulfonyl]-1-methyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[4-(3-methoxyphenyl)-3-methylphenyl]piperidin-1-yl]sulfonyl-1-methylpiperidine-4-carboxylate Traditional Name: 4-[4-[4-(3-methoxyphenyl)-3-methyl-phenyl]piperidino]sulfonyl-1-methyl-isonipecotic acid methyl ester Formula: C27H36N2O5S MolecularWeight: 500.65014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCN(CC3)C)C(=O)OC)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCN(CC3)C)C(=O)OC)C4=CC(=CC=C4)OC

InChI

InChI=1S/C27H36N2O5S/c1-20-18-22(8-9-25(20)23-6-5-7-24(19-23)33-3)21-10-14-29(15-11-21)35(31,32)27(26(30)34-4)12-16-28(2)17-13-27/h5-9,18-19,21H,10-17H2,1-4H3