(phenylmethyl) 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoate

Systemtic Name: (phenylmethyl) 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoate Openeye Name: benzyl 2-(benzylamino)-3-[4-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 3-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(benzylamino)-3-[4-(4-methylphenyl)sulfonyloxyphenyl]propanoate Traditional Name: 2-(benzylamino)-3-(4-tosyloxyphenyl)propionic acid benzyl ester Formula: C30H29NO5S MolecularWeight: 515.61996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C30H29NO5S/c1-23-12-18-28(19-13-23)37(33,34)36-27-16-14-24(15-17-27)20-29(31-21-25-8-4-2-5-9-25)30(32)35-22-26-10-6-3-7-11-26/h2-19,29,31H,20-22H2,1H3