methyl 1-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(2-chloro-5-morpholinosulfonyl-benzoyl)amino]cyclohexanecarboxylate CAS Name: 1-[[[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chloro-5-morpholin-4-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylate Traditional Name: 1-[(2-chloro-5-morpholinosulfonyl-benzoyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C19H25ClN2O6S MolecularWeight: 444.9296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C19H25ClN2O6S/c1-27-18(24)19(7-3-2-4-8-19)21-17(23)15-13-14(5-6-16(15)20)29(25,26)22-9-11-28-12-10-22/h5-6,13H,2-4,7-12H2,1H3,(H,21,23)