[2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-3-[(3R)-3-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [2-[(4-ethoxy-4-oxo-butyl)amino]-2-oxo-ethyl] 4-chloro-3-[[(3R)-3-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-chloro-3-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 4-chloro-3-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-chloro-3-[(3R)-3-methylpiperidino]sulfonyl-benzoic acid [2-[(4-ethoxy-4-keto-butyl)amino]-2-keto-ethyl] ester Formula: C21H29ClN2O7S MolecularWeight: 488.98216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC(C2)C

Isomeric SMILES

CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCC[C@H](C2)C

InChI

InChI=1S/C21H29ClN2O7S/c1-3-30-20(26)7-4-10-23-19(25)14-31-21(27)16-8-9-17(22)18(12-16)32(28,29)24-11-5-6-15(2)13-24/h8-9,12,15H,3-7,10-11,13-14H2,1-2H3,(H,23,25)/t15-/m1/s1