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

Systemtic Name: tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-sulfonyl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(1-naphthylmethyl)-3-sulfonyl-propanoyl]amino]hexanoate CAS Name: 2-[[2-(1-naphthalenylmethyl)-1-oxo-3-sulfonylpropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(naphthalen-1-ylmethyl)-3-sulfonylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-(1-naphthylmethyl)-3-sulfonyl-propanoyl]amino]hexanoic acid tert-butyl ester Formula: C24H31NO5S MolecularWeight: 445.57164

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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)C=S(=O)=O

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)C=S(=O)=O

InChI

InChI=1S/C24H31NO5S/c1-5-6-14-21(23(27)30-24(2,3)4)25-22(26)19(16-31(28)29)15-18-12-9-11-17-10-7-8-13-20(17)18/h7-13,16,19,21H,5-6,14-15H2,1-4H3,(H,25,26)