tert-butyl (2R)-6-(dimethylamino)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanoate

Systemtic Name: tert-butyl (2R)-6-(dimethylamino)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanoate Openeye Name: tert-butyl (2R)-6-(dimethylamino)-2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]hexanoate CAS Name: (2R)-6-(dimethylamino)-2-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-6-(dimethylamino)-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanoate Traditional Name: (2R)-6-(dimethylamino)-2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]hexanoic acid tert-butyl ester Formula: C25H37N3O5S MolecularWeight: 491.64338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N3O5S/c1-25(2,3)33-24(29)23(11-7-8-17-27(4)5)28(19-20-10-9-16-26-18-20)34(30,31)22-14-12-21(32-6)13-15-22/h9-10,12-16,18,23H,7-8,11,17,19H2,1-6H3/t23-/m1/s1