[4-(1,3-dithiolan-2-yl)phenyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C22H25NO4S3 MolecularWeight: 463.6332

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C22H25NO4S3/c1-16-10-12-23(13-11-16)30(25,26)20-8-4-17(5-9-20)21(24)27-19-6-2-18(3-7-19)22-28-14-15-29-22/h2-9,16,22H,10-15H2,1H3