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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H23NO5S3 MolecularWeight: 465.60602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S3/c1-26-19-14-16(21-28-12-13-29-21)6-9-18(19)27-20(23)15-4-7-17(8-5-15)30(24,25)22-10-2-3-11-22/h4-9,14,21H,2-3,10-13H2,1H3