3-[[3-methylsulfanyl-2-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]methoxy]propyl methanesulfonate

Systemtic Name: 3-[[3-methylsulfanyl-2-[2-(9H-xanthen-9-yl)ethanoylamino]phenyl]methoxy]propyl methanesulfonate Openeye Name: 3-[[3-methylsulfanyl-2-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]methoxy]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[[3-(methylthio)-2-[[1-oxo-2-(9H-xanthen-9-yl)ethyl]amino]phenyl]methoxy]propyl ester IUPAC Name: 3-[[3-methylsulfanyl-2-[[2-(9H-xanthen-9-yl)acetyl]amino]phenyl]methoxy]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[3-(methylthio)-2-[[2-(9H-xanthen-9-yl)acetyl]amino]benzyl]oxypropyl ester Formula: C27H29NO6S2 MolecularWeight: 527.65226

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)COCCCOS(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)COCCCOS(=O)(=O)C

InChI

InChI=1S/C27H29NO6S2/c1-35-25-14-7-9-19(18-32-15-8-16-33-36(2,30)31)27(25)28-26(29)17-22-20-10-3-5-12-23(20)34-24-13-6-4-11-21(22)24/h3-7,9-14,22H,8,15-18H2,1-2H3,(H,28,29)