ethyl 4-[4-(3-methylpiperidin-1-yl)carbonylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(3-methylpiperidin-1-yl)carbonylpiperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(3-methylpiperidine-1-carbonyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(3-methyl-1-piperidinyl)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(3-methylpiperidine-1-carbonyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC(C3)C

InChI

InChI=1S/C21H30N2O5S/c1-3-28-21(25)18-6-8-19(9-7-18)29(26,27)23-13-10-17(11-14-23)20(24)22-12-4-5-16(2)15-22/h6-9,16-17H,3-5,10-15H2,1-2H3