methyl 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoyl]oxymethyl]benzoate CAS Name: 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-1-oxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoyl]oxymethyl]benzoate Traditional Name: 4-[[(2S)-2-(brosylamino)-3-methyl-butanoyl]oxymethyl]benzoic acid methyl ester Formula: C20H22BrNO6S MolecularWeight: 484.36078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)C(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C20H22BrNO6S/c1-13(2)18(22-29(25,26)17-10-8-16(21)9-11-17)20(24)28-12-14-4-6-15(7-5-14)19(23)27-3/h4-11,13,18,22H,12H2,1-3H3/t18-/m0/s1