[4-[2-[[4-(4-methoxyphenyl)-4-methylsulfinyl-butan-2-yl]amino]ethanoyl]phenyl] benzoate

Systemtic Name: [4-[2-[[4-(4-methoxyphenyl)-4-methylsulfinyl-butan-2-yl]amino]ethanoyl]phenyl] benzoate Openeye Name: [4-[2-[[3-(4-methoxyphenyl)-1-methyl-3-methylsulfinyl-propyl]amino]acetyl]phenyl] benzoate CAS Name: benzoic acid [4-[2-[[4-(4-methoxyphenyl)-4-methylsulfinylbutan-2-yl]amino]-1-oxoethyl]phenyl] ester IUPAC Name: [4-[2-[[4-(4-methoxyphenyl)-4-methylsulfinylbutan-2-yl]amino]acetyl]phenyl] benzoate Traditional Name: benzoic acid [4-[2-[[3-(4-methoxyphenyl)-1-methyl-3-methylsulfinyl-propyl]amino]acetyl]phenyl] ester Formula: C27H29NO5S MolecularWeight: 479.58786

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C1=CC=C(C=C1)OC)S(=O)C)NCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CC(C1=CC=C(C=C1)OC)S(=O)C)NCC(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C27H29NO5S/c1-19(17-26(34(3)31)21-11-13-23(32-2)14-12-21)28-18-25(29)20-9-15-24(16-10-20)33-27(30)22-7-5-4-6-8-22/h4-16,19,26,28H,17-18H2,1-3H3