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

Systemtic Name: [4-[3-[4-(2-diethylaminoethyloxy)phenyl]carbonyl-6-methylsulfonyloxy-1-benzothiophen-2-yl]phenyl] methanesulfonate Openeye Name: [4-[3-[4-(2-diethylaminoethyloxy)benzoyl]-6-methylsulfonyloxy-benzothiophen-2-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[[4-(2-diethylaminoethyloxy)phenyl]-oxomethyl]-6-methylsulfonyloxy-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[3-[4-(2-diethylaminoethyloxy)benzoyl]-6-methylsulfonyloxy-1-benzothiophen-2-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[3-[4-(2-diethylaminoethyloxy)benzoyl]-6-methylsulfonyloxy-benzothiophen-2-yl]phenyl] ester Formula: C29H31NO8S3 MolecularWeight: 617.75334

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)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

CCN(CC)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/C29H31NO8S3/c1-5-30(6-2)17-18-36-22-11-7-20(8-12-22)28(31)27-25-16-15-24(38-41(4,34)35)19-26(25)39-29(27)21-9-13-23(14-10-21)37-40(3,32)33/h7-16,19H,5-6,17-18H2,1-4H3