[3-[4-(4-methoxyphenyl)butan-2-ylamino]-1-(3-methylsulfonyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl] ethanoate

Systemtic Name: [3-[4-(4-methoxyphenyl)butan-2-ylamino]-1-(3-methylsulfonyl-4-oxidanyl-phenoxy)-2-oxidanyl-propyl] ethanoate Openeye Name: [2-hydroxy-1-(4-hydroxy-3-methylsulfonyl-phenoxy)-3-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]propyl] acetate CAS Name: acetic acid [2-hydroxy-1-(4-hydroxy-3-methylsulfonylphenoxy)-3-[4-(4-methoxyphenyl)butan-2-ylamino]propyl] ester IUPAC Name: [2-hydroxy-1-(4-hydroxy-3-methylsulfonylphenoxy)-3-[4-(4-methoxyphenyl)butan-2-ylamino]propyl] acetate Traditional Name: acetic acid [2-hydroxy-1-(4-hydroxy-3-mesyl-phenoxy)-3-[[3-(4-methoxyphenyl)-1-methyl-propyl]amino]propyl] ester Formula: C23H31NO8S MolecularWeight: 481.55914

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)NCC(C(OC2=CC(=C(C=C2)O)S(=O)(=O)C)OC(=O)C)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)OC)NCC(C(OC2=CC(=C(C=C2)O)S(=O)(=O)C)OC(=O)C)O

InChI

InChI=1S/C23H31NO8S/c1-15(5-6-17-7-9-18(30-3)10-8-17)24-14-21(27)23(31-16(2)25)32-19-11-12-20(26)22(13-19)33(4,28)29/h7-13,15,21,23-24,26-27H,5-6,14H2,1-4H3