[1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-[(2-methylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-chloro-5-morpholinosulfonyl-benzoate CAS Name: 2-chloro-5-(4-morpholinylsulfonyl)benzoic acid [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] 2-chloro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-chloro-5-morpholinosulfonyl-benzoic acid [2-keto-1-methyl-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C21H29ClN2O6S MolecularWeight: 472.98276

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

Isomeric SMILES

CC1CCCCC1NC(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)Cl

InChI

InChI=1S/C21H29ClN2O6S/c1-14-5-3-4-6-19(14)23-20(25)15(2)30-21(26)17-13-16(7-8-18(17)22)31(27,28)24-9-11-29-12-10-24/h7-8,13-15,19H,3-6,9-12H2,1-2H3,(H,23,25)