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

Systemtic Name: ethyl 4-[4-(3,5-dimethylpiperidin-1-yl)carbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(3,5-dimethylpiperidine-1-carbonyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O5S/c1-4-29-22(26)19-5-7-20(8-6-19)30(27,28)24-11-9-18(10-12-24)21(25)23-14-16(2)13-17(3)15-23/h5-8,16-18H,4,9-15H2,1-3H3