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

Systemtic Name: tert-butyl (2R)-2-[(4-dimethylaminophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methyl-butanoate Openeye Name: tert-butyl (2R)-2-[(4-dimethylaminophenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butanoate CAS Name: (2R)-2-[(4-dimethylaminophenyl)sulfonyl-(3-pyridinylmethyl)amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(4-dimethylaminophenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-3-methylbutanoate Traditional Name: (2R)-2-[(4-dimethylaminophenyl)sulfonyl-(3-pyridylmethyl)amino]-3-methyl-butyric acid tert-butyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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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)N(C)C

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)N(C)C

InChI

InChI=1S/C23H33N3O4S/c1-17(2)21(22(27)30-23(3,4)5)26(16-18-9-8-14-24-15-18)31(28,29)20-12-10-19(11-13-20)25(6)7/h8-15,17,21H,16H2,1-7H3/t21-/m1/s1