tert-butyl 2-[[4-(4-bromanylphenoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanoate

Systemtic Name: tert-butyl 2-[[4-(4-bromanylphenoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanoate Openeye Name: tert-butyl 2-[[4-(4-bromophenoxy)phenyl]sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butanoate CAS Name: 2-[[4-(4-bromophenoxy)phenyl]sulfonyl-(3-pyridinylmethyl)amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(4-bromophenoxy)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoate Traditional Name: 2-[[4-(4-bromophenoxy)phenyl]sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butyric acid tert-butyl ester Formula: C27H31BrN2O5S MolecularWeight: 575.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)C(C(=O)OC(C)(C)C)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C27H31BrN2O5S/c1-19(2)25(26(31)35-27(3,4)5)30(18-20-7-6-16-29-17-20)36(32,33)24-14-12-23(13-15-24)34-22-10-8-21(28)9-11-22/h6-17,19,25H,18H2,1-5H3