ethyl 4-[4-(heptan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(heptan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(1-methylhexylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(heptan-2-ylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(heptan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(1-methylhexylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCCCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C22H34N2O5S/c1-4-6-7-8-17(3)23-21(25)18-13-15-24(16-14-18)30(27,28)20-11-9-19(10-12-20)22(26)29-5-2/h9-12,17-18H,4-8,13-16H2,1-3H3,(H,23,25)