[2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-cyclohexylpropanoate

Systemtic Name: [2-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-cyclohexylpropanoate Openeye Name: [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [2-[2-chloro-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [2-(2-chloro-5-morpholinosulfonyl-anilino)-2-keto-ethyl] ester Formula: C21H29ClN2O6S MolecularWeight: 472.98276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

C1CCC(CC1)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C21H29ClN2O6S/c22-18-8-7-17(31(27,28)24-10-12-29-13-11-24)14-19(18)23-20(25)15-30-21(26)9-6-16-4-2-1-3-5-16/h7-8,14,16H,1-6,9-13,15H2,(H,23,25)