[4-[6-methylsulfonyloxy-3-[4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] methanesulfonate

Systemtic Name: [4-[6-methylsulfonyloxy-3-[4-(2-morpholin-4-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] methanesulfonate Openeye Name: [4-[6-methylsulfonyloxy-3-[4-(2-morpholinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[6-methylsulfonyloxy-3-[[4-[2-(4-morpholinyl)ethoxy]phenyl]-oxomethyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-methylsulfonyloxy-3-[4-(2-morpholin-4-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[6-methylsulfonyloxy-3-[4-(2-morpholinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C29H29NO9S3 MolecularWeight: 631.73686

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)C)C(=O)C4=CC=C(C=C4)OCCN5CCOCC5

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)C)C(=O)C4=CC=C(C=C4)OCCN5CCOCC5

InChI

InChI=1S/C29H29NO9S3/c1-41(32,33)38-23-9-5-21(6-10-23)29-27(25-12-11-24(19-26(25)40-29)39-42(2,34)35)28(31)20-3-7-22(8-4-20)37-18-15-30-13-16-36-17-14-30/h3-12,19H,13-18H2,1-2H3