[4-(1,3-dithiolan-2-yl)phenyl] 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-methoxy-3-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-methoxy-3-(2-methylpiperidino)sulfonyl-benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C23H27NO5S3 MolecularWeight: 493.65918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4)OC

InChI

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