[4-(1,3-dithiolan-2-yl)phenyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C21H23NO4S3 MolecularWeight: 449.60662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C21H23NO4S3/c23-20(26-18-9-7-16(8-10-18)21-27-13-14-28-21)17-5-4-6-19(15-17)29(24,25)22-11-2-1-3-12-22/h4-10,15,21H,1-3,11-14H2