tert-butyl 2-[[2-(furan-2-ylmethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-(furan-2-ylmethylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(2-furylmethylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-(2-furanylmethylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(furan-2-ylmethylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-(2-furfurylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C29H37NO6S MolecularWeight: 527.67218

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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)CC3=CC=CO3

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)CS(=O)(=O)CC3=CC=CO3

InChI

InChI=1S/C29H37NO6S/c1-5-6-16-26(28(32)36-29(2,3)4)30-27(31)23(19-37(33,34)20-24-14-10-17-35-24)18-22-13-9-12-21-11-7-8-15-25(21)22/h7-15,17,23,26H,5-6,16,18-20H2,1-4H3,(H,30,31)