phenyl 3-(cyclohexylamino)-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxidanylidene-2-phenyl-propanoate

Systemtic Name: phenyl 3-(cyclohexylamino)-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxidanylidene-2-phenyl-propanoate Openeye Name: phenyl 3-(cyclohexylamino)-3-oxo-2-phenyl-2-(p-tolylsulfonyloxymethyl)propanoate CAS Name: 3-(cyclohexylamino)-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-2-phenylpropanoic acid phenyl ester IUPAC Name: phenyl 3-(cyclohexylamino)-2-[(4-methylphenyl)sulfonyloxymethyl]-3-oxo-2-phenylpropanoate Traditional Name: 3-(cyclohexylamino)-3-keto-2-phenyl-2-(tosyloxymethyl)propionic acid phenyl ester Formula: C29H31NO6S MolecularWeight: 521.62454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=CC=C2)(C(=O)NC3CCCCC3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C2=CC=CC=C2)(C(=O)NC3CCCCC3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C29H31NO6S/c1-22-17-19-26(20-18-22)37(33,34)35-21-29(23-11-5-2-6-12-23,27(31)30-24-13-7-3-8-14-24)28(32)36-25-15-9-4-10-16-25/h2,4-6,9-12,15-20,24H,3,7-8,13-14,21H2,1H3,(H,30,31)