ethyl 4-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(3,5-dimethyl-1-piperidyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-(3,5-dimethyl-1-piperidinyl)-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3,5-dimethylpiperidino)piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CC(CC(C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)N3CC(CC(C3)C)C

InChI

InChI=1S/C21H32N2O4S/c1-4-27-21(24)18-5-7-20(8-6-18)28(25,26)23-11-9-19(10-12-23)22-14-16(2)13-17(3)15-22/h5-8,16-17,19H,4,9-15H2,1-3H3