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

Systemtic Name: methyl 2-[4-(5-methylhexan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(1,4-dimethylpentylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(5-methylhexan-2-ylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(5-methylhexan-2-ylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(1,4-dimethylpentylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)CCC(C)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C21H32N2O5S/c1-15(2)9-10-16(3)22-20(24)17-11-13-23(14-12-17)29(26,27)19-8-6-5-7-18(19)21(25)28-4/h5-8,15-17H,9-14H2,1-4H3,(H,22,24)