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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NC(C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)S(=O)C

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NC(C(=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)S(=O)C

InChI

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