methyl 2-[1-[2-[4-(diethylamino)phenyl]-2-oxidanylidene-ethyl]piperidin-4-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[1-[2-[4-(diethylamino)phenyl]-2-oxidanylidene-ethyl]piperidin-4-yl]sulfonylbenzoate Openeye Name: methyl 2-[[1-[2-[4-(diethylamino)phenyl]-2-oxo-ethyl]-4-piperidyl]sulfonyl]benzoate CAS Name: 2-[[1-[2-[4-(diethylamino)phenyl]-2-oxoethyl]-4-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[1-[2-[4-(diethylamino)phenyl]-2-oxoethyl]piperidin-4-yl]sulfonylbenzoate Traditional Name: 2-[[1-[2-[4-(diethylamino)phenyl]-2-keto-ethyl]-4-piperidyl]sulfonyl]benzoic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)CN2CCC(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)CN2CCC(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C25H32N2O5S/c1-4-27(5-2)20-12-10-19(11-13-20)23(28)18-26-16-14-21(15-17-26)33(30,31)24-9-7-6-8-22(24)25(29)32-3/h6-13,21H,4-5,14-18H2,1-3H3