tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-6-(phenylsulfonyl)pentadecanoate

Systemtic Name: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxidanylidene-6-(phenylsulfonyl)pentadecanoate Openeye Name: tert-butyl 6-(benzenesulfonyl)-2-(tert-butoxycarbonylamino)-5-oxo-pentadecanoate CAS Name: 6-(benzenesulfonyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-oxopentadecanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-(benzenesulfonyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentadecanoate Traditional Name: 6-besyl-2-(tert-butoxycarbonylamino)-5-keto-pentadecanoic acid tert-butyl ester Formula: C30H49NO7S MolecularWeight: 567.77756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCC(C(=O)CCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C30H49NO7S/c1-8-9-10-11-12-13-17-20-26(39(35,36)23-18-15-14-16-19-23)25(32)22-21-24(27(33)37-29(2,3)4)31-28(34)38-30(5,6)7/h14-16,18-19,24,26H,8-13,17,20-22H2,1-7H3,(H,31,34)