ethyl 4-[4-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]piperidin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]piperidin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-1-piperidyl]piperidine-1-carboxylate CAS Name: 4-[4-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]-1-piperidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-methoxy-5-(4-methylsulfonylphenyl)phenyl]piperidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[5-(4-mesylphenyl)-2-methoxy-phenyl]piperidino]piperidine-1-carboxylic acid ethyl ester Formula: C27H36N2O5S MolecularWeight: 500.65014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CCC(CC2)C3=C(C=CC(=C3)C4=CC=C(C=C4)S(=O)(=O)C)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CCC(CC2)C3=C(C=CC(=C3)C4=CC=C(C=C4)S(=O)(=O)C)OC

InChI

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