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

Systemtic Name: [4-[6-methylsulfonyloxy-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl] methanesulfonate Openeye Name: [4-[6-methylsulfonyloxy-3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]benzothiophen-2-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[6-methylsulfonyloxy-3-[oxo-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-methylsulfonyloxy-3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[6-methylsulfonyloxy-3-[4-(2-pyrrolidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl] ester Formula: C29H29NO8S3 MolecularWeight: 615.73746

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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)OCCN5CCCC5

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)OCCN5CCCC5

InChI

InChI=1S/C29H29NO8S3/c1-40(32,33)37-23-11-7-21(8-12-23)29-27(25-14-13-24(19-26(25)39-29)38-41(2,34)35)28(31)20-5-9-22(10-6-20)36-18-17-30-15-3-4-16-30/h5-14,19H,3-4,15-18H2,1-2H3