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

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCCC2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCCC2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H29N3O7S/c1-15-7-8-16(13-18(15)32(28,29)24-9-11-30-12-10-24)20(26)31-14-19(25)23-21(27)22-17-5-3-2-4-6-17/h7-8,13,17H,2-6,9-12,14H2,1H3,(H2,22,23,25,27)