[4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate hydrobromide

Systemtic Name: [4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]ethanoyl]-2-methylsulfanyl-phenyl] ethanoate hydrobromide Openeye Name: [4-[2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]acetyl]-2-methylsulfanyl-phenyl] acetate hydrobromide CAS Name: acetic acid [4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]-1-oxoethyl]-2-(methylthio)phenyl] ester hydrobromide IUPAC Name: [4-[2-[4-(4-methoxyphenyl)butan-2-ylamino]acetyl]-2-methylsulfanylphenyl] acetate hydrobromide Traditional Name: acetic acid [4-[2-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]acetyl]-2-(methylthio)phenyl] ester hydrobromide Formula: C22H28BrNO4S MolecularWeight: 482.43102

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NCC(=O)C2=CC(=C(C=C2)OC(=O)C)SC.Br

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NCC(=O)C2=CC(=C(C=C2)OC(=O)C)SC.Br

InChI

InChI=1S/C22H27NO4S.BrH/c1-15(5-6-17-7-10-19(26-3)11-8-17)23-14-20(25)18-9-12-21(27-16(2)24)22(13-18)28-4;/h7-13,15,23H,5-6,14H2,1-4H3;1H