ethyl 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(azepane-1-carbonyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(azepane-1-carbonyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(azepane-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)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H30N2O5S/c1-2-28-21(25)18-7-9-19(10-8-18)29(26,27)23-15-11-17(12-16-23)20(24)22-13-5-3-4-6-14-22/h7-10,17H,2-6,11-16H2,1H3