ethyl (Z)-7-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-6-phenylsulfanyl-hept-6-enoate

Systemtic Name: ethyl (Z)-7-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-6-phenylsulfanyl-hept-6-enoate Openeye Name: ethyl (Z)-7-[benzyl(p-tolylsulfonyl)amino]-6-phenylsulfanyl-hept-6-enoate CAS Name: (Z)-7-[(4-methylphenyl)sulfonyl-(phenylmethyl)amino]-6-(phenylthio)-6-heptenoic acid ethyl ester IUPAC Name: ethyl (Z)-7-[benzyl-(4-methylphenyl)sulfonylamino]-6-phenylsulfanylhept-6-enoate Traditional Name: (Z)-7-[benzyl(tosyl)amino]-6-(phenylthio)hept-6-enoic acid ethyl ester Formula: C29H33NO4S2 MolecularWeight: 523.70662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCC/C(=C/N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C)/SC3=CC=CC=C3

InChI

InChI=1S/C29H33NO4S2/c1-3-34-29(31)17-11-10-16-27(35-26-14-8-5-9-15-26)23-30(22-25-12-6-4-7-13-25)36(32,33)28-20-18-24(2)19-21-28/h4-9,12-15,18-21,23H,3,10-11,16-17,22H2,1-2H3/b27-23-