propan-2-yl 2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]ethanoate

Systemtic Name: propan-2-yl 2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]ethanoate Openeye Name: isopropyl 2-(benzylamino)-2-[4-(p-tolylsulfonyloxy)phenyl]acetate CAS Name: 2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-[(phenylmethyl)amino]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-(benzylamino)-2-[4-(4-methylphenyl)sulfonyloxyphenyl]acetate Traditional Name: 2-(benzylamino)-2-(4-tosyloxyphenyl)acetic acid isopropyl ester Formula: C25H27NO5S MolecularWeight: 453.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C(=O)OC(C)C)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C(C(=O)OC(C)C)NCC3=CC=CC=C3

InChI

InChI=1S/C25H27NO5S/c1-18(2)30-25(27)24(26-17-20-7-5-4-6-8-20)21-11-13-22(14-12-21)31-32(28,29)23-15-9-19(3)10-16-23/h4-16,18,24,26H,17H2,1-3H3