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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C22H25NO4S3 MolecularWeight: 463.6332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S3/c1-16-5-6-18(15-20(16)30(25,26)23-11-3-2-4-12-23)21(24)27-19-9-7-17(8-10-19)22-28-13-14-29-22/h5-10,15,22H,2-4,11-14H2,1H3