methyl 3-(4-methylphenyl)sulfonyloxy-2-phenyl-7-(phenylmethoxycarbonylamino)heptanoate

Systemtic Name: methyl 3-(4-methylphenyl)sulfonyloxy-2-phenyl-7-(phenylmethoxycarbonylamino)heptanoate Openeye Name: methyl 7-(benzyloxycarbonylamino)-2-phenyl-3-(p-tolylsulfonyloxy)heptanoate CAS Name: 3-(4-methylphenyl)sulfonyloxy-2-phenyl-7-(phenylmethoxycarbonylamino)heptanoic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)sulfonyloxy-2-phenyl-7-(phenylmethoxycarbonylamino)heptanoate Traditional Name: 7-(benzyloxycarbonylamino)-2-phenyl-3-tosyloxy-enanthic acid methyl ester Formula: C29H33NO7S MolecularWeight: 539.63982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCNC(=O)OCC2=CC=CC=C2)C(C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCCNC(=O)OCC2=CC=CC=C2)C(C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C29H33NO7S/c1-22-16-18-25(19-17-22)38(33,34)37-26(27(28(31)35-2)24-13-7-4-8-14-24)15-9-10-20-30-29(32)36-21-23-11-5-3-6-12-23/h3-8,11-14,16-19,26-27H,9-10,15,20-21H2,1-2H3,(H,30,32)