[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C23H27NO5S3 MolecularWeight: 493.65918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=C(C=C(C=C2)C3SCCS3)OC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H27NO5S3/c1-16-6-7-17(15-21(16)32(26,27)24-10-4-3-5-11-24)22(25)29-19-9-8-18(14-20(19)28-2)23-30-12-13-31-23/h6-9,14-15,23H,3-5,10-13H2,1-2H3