methyl 3-(4-bromophenyl)sulfanyl-2-[(4-methylphenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

Systemtic Name: methyl 3-(4-bromophenyl)sulfanyl-2-[(4-methylphenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate Openeye Name: methyl 3-(4-bromophenyl)sulfanyl-2-[tert-butoxycarbonyl(p-tolylsulfonyl)amino]propanoate CAS Name: 3-[(4-bromophenyl)thio]-2-[(4-methylphenyl)sulfonyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-bromophenyl)sulfanyl-2-[(4-methylphenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate Traditional Name: 3-[(4-bromophenyl)thio]-2-[tert-butoxycarbonyl(tosyl)amino]propionic acid methyl ester Formula: C22H26BrNO6S2 MolecularWeight: 544.47894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CSC2=CC=C(C=C2)Br)C(=O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CSC2=CC=C(C=C2)Br)C(=O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H26BrNO6S2/c1-15-6-12-18(13-7-15)32(27,28)24(21(26)30-22(2,3)4)19(20(25)29-5)14-31-17-10-8-16(23)9-11-17/h6-13,19H,14H2,1-5H3