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

Systemtic Name: [2-(4-methylphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] methanesulfonate Openeye Name: [3-[4-[2-(1-piperidyl)ethoxy]benzoyl]-2-(p-tolyl)benzothiophen-6-yl] methanesulfonate CAS Name: methanesulfonic acid [2-(4-methylphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl] ester IUPAC Name: [2-(4-methylphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-[4-(2-piperidinoethoxy)benzoyl]-2-(p-tolyl)benzothiophen-6-yl] ester Formula: C30H31NO5S2 MolecularWeight: 549.70084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)C)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)OS(=O)(=O)C)C(=O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C30H31NO5S2/c1-21-6-8-23(9-7-21)30-28(26-15-14-25(20-27(26)37-30)36-38(2,33)34)29(32)22-10-12-24(13-11-22)35-19-18-31-16-4-3-5-17-31/h6-15,20H,3-5,16-19H2,1-2H3