(phenylmethyl) 6-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: (phenylmethyl) 6-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoate Openeye Name: benzyl 2-(benzyloxycarbonylamino)-6-oxo-6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]-6-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid (phenylmethyl) ester IUPAC Name: benzyl 6-[(4-methylphenyl)sulfonylamino]-6-oxo-2-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 2-(benzyloxycarbonylamino)-6-keto-6-(tosylamino)hexanoic acid benzyl ester Formula: C28H30N2O7S MolecularWeight: 538.612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CCCC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)CCCC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H30N2O7S/c1-21-15-17-24(18-16-21)38(34,35)30-26(31)14-8-13-25(27(32)36-19-22-9-4-2-5-10-22)29-28(33)37-20-23-11-6-3-7-12-23/h2-7,9-12,15-18,25H,8,13-14,19-20H2,1H3,(H,29,33)(H,30,31)