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

Systemtic Name: [4-[3-[4-(2-dimethylaminoethyloxy)phenyl]carbonyl-6-methylsulfonyloxy-1-benzothiophen-2-yl]phenyl] methanesulfonate Openeye Name: [4-[3-[4-(2-dimethylaminoethyloxy)benzoyl]-6-methylsulfonyloxy-benzothiophen-2-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[[4-(2-dimethylaminoethyloxy)phenyl]-oxomethyl]-6-methylsulfonyloxy-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[3-[4-(2-dimethylaminoethyloxy)benzoyl]-6-methylsulfonyloxy-1-benzothiophen-2-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[3-[4-(2-dimethylaminoethyloxy)benzoyl]-6-methylsulfonyloxy-benzothiophen-2-yl]phenyl] ester Formula: C27H27NO8S3 MolecularWeight: 589.70018

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OS(=O)(=O)C)C4=CC=C(C=C4)OS(=O)(=O)C

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)C(=O)C2=C(SC3=C2C=CC(=C3)OS(=O)(=O)C)C4=CC=C(C=C4)OS(=O)(=O)C

InChI

InChI=1S/C27H27NO8S3/c1-28(2)15-16-34-20-9-5-18(6-10-20)26(29)25-23-14-13-22(36-39(4,32)33)17-24(23)37-27(25)19-7-11-21(12-8-19)35-38(3,30)31/h5-14,17H,15-16H2,1-4H3