tert-butyl (2R)-2-[[4-(2-bromoethyloxy)phenyl]sulfonyl-(phenylmethyl)amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2R)-2-[[4-(2-bromoethyloxy)phenyl]sulfonyl-(phenylmethyl)amino]-3-methyl-butanoate Openeye Name: tert-butyl (2R)-2-[benzyl-[4-(2-bromoethoxy)phenyl]sulfonyl-amino]-3-methyl-butanoate CAS Name: (2R)-2-[[4-(2-bromoethoxy)phenyl]sulfonyl-(phenylmethyl)amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[benzyl-[4-(2-bromoethoxy)phenyl]sulfonylamino]-3-methylbutanoate Traditional Name: (2R)-2-[benzyl-[4-(2-bromoethoxy)phenyl]sulfonyl-amino]-3-methyl-butyric acid tert-butyl ester Formula: C24H32BrNO5S MolecularWeight: 526.48358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@H](C(=O)OC(C)(C)C)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OCCBr

InChI

InChI=1S/C24H32BrNO5S/c1-18(2)22(23(27)31-24(3,4)5)26(17-19-9-7-6-8-10-19)32(28,29)21-13-11-20(12-14-21)30-16-15-25/h6-14,18,22H,15-17H2,1-5H3/t22-/m1/s1