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

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NCC2CCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H30N2O6S/c1-16-7-8-18(13-19(16)30(26,27)23-9-11-28-12-10-23)21(25)29-15-20(24)22-14-17-5-3-2-4-6-17/h7-8,13,17H,2-6,9-12,14-15H2,1H3,(H,22,24)