methyl 4-[4-[4-[3-(2-azanylethoxy)phenyl]-3-methyl-phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate

Systemtic Name: methyl 4-[4-[4-[3-(2-azanylethoxy)phenyl]-3-methyl-phenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Openeye Name: methyl 4-[[4-[4-[3-(2-aminoethoxy)phenyl]-3-methyl-phenyl]-1-piperidyl]sulfonyl]tetrahydropyran-4-carboxylate CAS Name: 4-[[4-[4-[3-(2-aminoethoxy)phenyl]-3-methylphenyl]-1-piperidinyl]sulfonyl]-4-oxanecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[4-[3-(2-aminoethoxy)phenyl]-3-methylphenyl]piperidin-1-yl]sulfonyloxane-4-carboxylate Traditional Name: 4-[4-[4-[3-(2-aminoethoxy)phenyl]-3-methyl-phenyl]piperidino]sulfonyltetrahydropyran-4-carboxylic acid methyl ester Formula: C27H36N2O6S MolecularWeight: 516.64954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC)C4=CC(=CC=C4)OCCN

Isomeric SMILES

CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C3(CCOCC3)C(=O)OC)C4=CC(=CC=C4)OCCN

InChI

InChI=1S/C27H36N2O6S/c1-20-18-22(6-7-25(20)23-4-3-5-24(19-23)35-17-12-28)21-8-13-29(14-9-21)36(31,32)27(26(30)33-2)10-15-34-16-11-27/h3-7,18-19,21H,8-17,28H2,1-2H3