tert-butyl 2-[(2-methanethioyl-3-naphthalen-1-yl-propanoyl)-[3-(4-methylphenyl)sulfonyloxy-2-oxidanyl-propyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[(2-methanethioyl-3-naphthalen-1-yl-propanoyl)-[3-(4-methylphenyl)sulfonyloxy-2-oxidanyl-propyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-hydroxy-3-(p-tolylsulfonyloxy)propyl]-[2-methanethioyl-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-hydroxy-3-(4-methylphenyl)sulfonyloxypropyl]-[2-methanethioyl-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-hydroxy-3-(4-methylphenyl)sulfonyloxypropyl]-(2-methanethioyl-3-naphthalen-1-ylpropanoyl)amino]hexanoate Traditional Name: 2-[(2-hydroxy-3-tosyloxy-propyl)-[2-(1-naphthylmethyl)-3-thioxo-propanoyl]amino]hexanoic acid tert-butyl ester Formula: C34H43NO7S2 MolecularWeight: 641.83772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC(C)(C)C)N(CC(COS(=O)(=O)C1=CC=C(C=C1)C)O)C(=O)C(CC2=CC=CC3=CC=CC=C32)C=S

Isomeric SMILES

CCCCC(C(=O)OC(C)(C)C)N(CC(COS(=O)(=O)C1=CC=C(C=C1)C)O)C(=O)C(CC2=CC=CC3=CC=CC=C32)C=S

InChI

InChI=1S/C34H43NO7S2/c1-6-7-15-31(33(38)42-34(3,4)5)35(21-28(36)22-41-44(39,40)29-18-16-24(2)17-19-29)32(37)27(23-43)20-26-13-10-12-25-11-8-9-14-30(25)26/h8-14,16-19,23,27-28,31,36H,6-7,15,20-22H2,1-5H3