[4-[2-[4-(3-bromanyl-4-methoxy-phenyl)butan-2-ylamino]ethanoyl]-2-methylsulfinyl-phenyl] benzoate

Systemtic Name: [4-[2-[4-(3-bromanyl-4-methoxy-phenyl)butan-2-ylamino]ethanoyl]-2-methylsulfinyl-phenyl] benzoate Openeye Name: [4-[2-[[3-(3-bromo-4-methoxy-phenyl)-1-methyl-propyl]amino]acetyl]-2-methylsulfinyl-phenyl] benzoate CAS Name: benzoic acid [4-[2-[4-(3-bromo-4-methoxyphenyl)butan-2-ylamino]-1-oxoethyl]-2-methylsulfinylphenyl] ester IUPAC Name: [4-[2-[4-(3-bromo-4-methoxyphenyl)butan-2-ylamino]acetyl]-2-methylsulfinylphenyl] benzoate Traditional Name: benzoic acid [4-[2-[[3-(3-bromo-4-methoxy-phenyl)-1-methyl-propyl]amino]acetyl]-2-methylsulfinyl-phenyl] ester Formula: C27H28BrNO5S MolecularWeight: 558.48392

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=C(C=C1)OC)Br)NCC(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)S(=O)C

Isomeric SMILES

CC(CCC1=CC(=C(C=C1)OC)Br)NCC(=O)C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)S(=O)C

InChI

InChI=1S/C27H28BrNO5S/c1-18(9-10-19-11-13-24(33-2)22(28)15-19)29-17-23(30)21-12-14-25(26(16-21)35(3)32)34-27(31)20-7-5-4-6-8-20/h4-8,11-16,18,29H,9-10,17H2,1-3H3