ethyl 4-[4-(5-methylhexan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(5-methylhexan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-(1,4-dimethylpentylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(5-methylhexan-2-ylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(5-methylhexan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(1,4-dimethylpentylcarbamoyl)piperidino]sulfonylbenzoic acid ethyl ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)CCC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC(C)CCC(C)C

InChI

InChI=1S/C22H34N2O5S/c1-5-29-22(26)19-8-10-20(11-9-19)30(27,28)24-14-12-18(13-15-24)21(25)23-17(4)7-6-16(2)3/h8-11,16-18H,5-7,12-15H2,1-4H3,(H,23,25)