methyl (2S)-2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-yl)propyl]phenoxy]butanoate

Systemtic Name: methyl (2S)-2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-yl)propyl]phenoxy]butanoate Openeye Name: methyl (2S)-2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-yl)propyl]phenoxy]butanoate CAS Name: (2S)-2-methyl-2-[4-[3-(5-methylsulfonyloxy-1-indolyl)propyl]phenoxy]butanoic acid methyl ester IUPAC Name: methyl (2S)-2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-yl)propyl]phenoxy]butanoate Traditional Name: (2S)-2-methyl-2-[4-[3-(5-methylsulfonyloxyindol-1-yl)propyl]phenoxy]butyric acid methyl ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)OC)OC1=CC=C(C=C1)CCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C

Isomeric SMILES

CC[C@@](C)(C(=O)OC)OC1=CC=C(C=C1)CCCN2C=CC3=C2C=CC(=C3)OS(=O)(=O)C

InChI

InChI=1S/C24H29NO6S/c1-5-24(2,23(26)29-3)30-20-10-8-18(9-11-20)7-6-15-25-16-14-19-17-21(12-13-22(19)25)31-32(4,27)28/h8-14,16-17H,5-7,15H2,1-4H3/t24-/m0/s1