[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H22ClNO5S3 MolecularWeight: 500.05108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22ClNO5S3/c1-27-18-12-15(21-29-10-11-30-21)5-7-17(18)28-20(24)14-4-6-16(22)19(13-14)31(25,26)23-8-2-3-9-23/h4-7,12-13,21H,2-3,8-11H2,1H3