[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 2,4-bis(chloranyl)-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 2,4-dichloro-5-morpholinosulfonyl-benzoate CAS Name: 2,4-dichloro-5-(4-morpholinylsulfonyl)benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 2,4-dichloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2,4-dichloro-5-morpholinosulfonyl-benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C20H26Cl2N2O6S MolecularWeight: 493.40124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=CC(=C(C=C2Cl)Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H26Cl2N2O6S/c21-16-12-17(22)18(31(27,28)24-7-9-29-10-8-24)11-15(16)20(26)30-13-19(25)23-14-5-3-1-2-4-6-14/h11-12,14H,1-10,13H2,(H,23,25)