[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C20H27BrN2O6S MolecularWeight: 503.40718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C20H27BrN2O6S/c21-17-7-6-16(12-18(17)30(26,27)23-8-10-28-11-9-23)20(25)29-14-19(24)22-13-15-4-2-1-3-5-15/h6-7,12,15H,1-5,8-11,13-14H2,(H,22,24)