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

Systemtic Name: tert-butyl (2R)-2-[(4-fluorophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanoate Openeye Name: tert-butyl (2R)-2-[(4-fluorophenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butanoate CAS Name: (2R)-2-[(4-fluorophenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(4-fluorophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[(4-fluorophenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butyric acid tert-butyl ester Formula: C21H27FN2O4S MolecularWeight: 422.513483

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN2O4S/c1-15(2)19(20(25)28-21(3,4)5)24(14-16-7-6-12-23-13-16)29(26,27)18-10-8-17(22)9-11-18/h6-13,15,19H,14H2,1-5H3/t19-/m1/s1