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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCO1)C(=O)OS(=O)(=O)N2CCC(CC2)C3=CC(=C(C=C3)C4=CC(=CC=C4)OCCN)C

Isomeric SMILES

CC1CC(CCO1)C(=O)OS(=O)(=O)N2CCC(CC2)C3=CC(=C(C=C3)C4=CC(=CC=C4)OCCN)C

InChI

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