[2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate

Systemtic Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxidanylidene-ethyl] 2-(4-bromophenyl)sulfanylethanoate Openeye Name: [2-[(1-morpholinocyclohexyl)methylamino]-2-oxo-ethyl] 2-(4-bromophenyl)sulfanylacetate CAS Name: 2-[(4-bromophenyl)thio]acetic acid [2-[[1-(4-morpholinyl)cyclohexyl]methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-morpholin-4-ylcyclohexyl)methylamino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate Traditional Name: 2-[(4-bromophenyl)thio]acetic acid [2-keto-2-[(1-morpholinocyclohexyl)methylamino]ethyl] ester Formula: C21H29BrN2O4S MolecularWeight: 485.43496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)COC(=O)CSC2=CC=C(C=C2)Br)N3CCOCC3

Isomeric SMILES

C1CCC(CC1)(CNC(=O)COC(=O)CSC2=CC=C(C=C2)Br)N3CCOCC3

InChI

InChI=1S/C21H29BrN2O4S/c22-17-4-6-18(7-5-17)29-15-20(26)28-14-19(25)23-16-21(8-2-1-3-9-21)24-10-12-27-13-11-24/h4-7H,1-3,8-16H2,(H,23,25)