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

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C20H21NO4S3 MolecularWeight: 435.58004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C20H21NO4S3/c22-19(25-17-7-3-16(4-8-17)20-26-13-14-27-20)15-5-9-18(10-6-15)28(23,24)21-11-1-2-12-21/h3-10,20H,1-2,11-14H2