tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-ylsulfonyl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-ylsulfonyl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(1-naphthylmethyl)-3-pyrimidin-2-ylsulfonyl-propanoyl]amino]hexanoate CAS Name: 2-[[2-(1-naphthalenylmethyl)-1-oxo-3-(2-pyrimidinylsulfonyl)propyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-pyrimidin-2-ylsulfonylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-(1-naphthylmethyl)-3-(2-pyrimidylsulfonyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C28H35N3O5S MolecularWeight: 525.6596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)C3=NC=CC=N3

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)C3=NC=CC=N3

InChI

InChI=1S/C28H35N3O5S/c1-5-6-15-24(26(33)36-28(2,3)4)31-25(32)22(19-37(34,35)27-29-16-10-17-30-27)18-21-13-9-12-20-11-7-8-14-23(20)21/h7-14,16-17,22,24H,5-6,15,18-19H2,1-4H3,(H,31,32)