piperidin-1-ylsulfonyl 4-[4-[3-(2-azanylethoxy)phenyl]-3-methyl-phenyl]oxane-4-carboxylate

Systemtic Name: piperidin-1-ylsulfonyl 4-[4-[3-(2-azanylethoxy)phenyl]-3-methyl-phenyl]oxane-4-carboxylate Openeye Name: 1-piperidylsulfonyl 4-[4-[3-(2-aminoethoxy)phenyl]-3-methyl-phenyl]tetrahydropyran-4-carboxylate CAS Name: 4-[4-[3-(2-aminoethoxy)phenyl]-3-methylphenyl]-4-oxanecarboxylic acid 1-piperidinylsulfonyl ester IUPAC Name: piperidin-1-ylsulfonyl 4-[4-[3-(2-aminoethoxy)phenyl]-3-methylphenyl]oxane-4-carboxylate Traditional Name: 4-[4-[3-(2-aminoethoxy)phenyl]-3-methyl-phenyl]tetrahydropyran-4-carboxylic acid piperidinosulfonyl ester Formula: C26H34N2O6S MolecularWeight: 502.62296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(CCOCC2)C(=O)OS(=O)(=O)N3CCCCC3)C4=CC(=CC=C4)OCCN

Isomeric SMILES

CC1=C(C=CC(=C1)C2(CCOCC2)C(=O)OS(=O)(=O)N3CCCCC3)C4=CC(=CC=C4)OCCN

InChI

InChI=1S/C26H34N2O6S/c1-20-18-22(8-9-24(20)21-6-5-7-23(19-21)33-17-12-27)26(10-15-32-16-11-26)25(29)34-35(30,31)28-13-3-2-4-14-28/h5-9,18-19H,2-4,10-17,27H2,1H3