tert-butyl 2-[[2-(3,3-diacetyloxypropylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoate

Systemtic Name: tert-butyl 2-[[2-(3,3-diacetyloxypropylsulfonylmethyl)-3-naphthalen-1-yl-propanoyl]amino]hexanoate Openeye Name: tert-butyl 2-[[2-(3,3-diacetoxypropylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoate CAS Name: 2-[[2-(3,3-diacetyloxypropylsulfonylmethyl)-3-(1-naphthalenyl)-1-oxopropyl]amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(3,3-diacetyloxypropylsulfonylmethyl)-3-naphthalen-1-ylpropanoyl]amino]hexanoate Traditional Name: 2-[[2-(3,3-diacetoxypropylsulfonylmethyl)-3-(1-naphthyl)propanoyl]amino]hexanoic acid tert-butyl ester Formula: C31H43NO9S MolecularWeight: 605.73942

Click to see the large picture

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)CCC(OC(=O)C)OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C31H43NO9S/c1-7-8-16-27(30(36)41-31(4,5)6)32-29(35)25(19-24-14-11-13-23-12-9-10-15-26(23)24)20-42(37,38)18-17-28(39-21(2)33)40-22(3)34/h9-15,25,27-28H,7-8,16-20H2,1-6H3,(H,32,35)