[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-chloranyl-3-[(3S)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 4-chloro-3-[[(3S)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 4-chloro-3-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3S)-3-methylpiperidino]sulfonyl-benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H28ClN3O6S MolecularWeight: 473.97082

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC(=O)NCC(C)C)Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC(=O)NCC(C)C)Cl

InChI

InChI=1S/C20H28ClN3O6S/c1-13(2)10-22-20(27)23-18(25)12-30-19(26)15-6-7-16(21)17(9-15)31(28,29)24-8-4-5-14(3)11-24/h6-7,9,13-14H,4-5,8,10-12H2,1-3H3,(H2,22,23,25,27)/t14-/m0/s1