[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(3-methoxyphenyl)thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(3-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(3-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H22N2O5S2 MolecularWeight: 458.55048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O5S2/c1-28-19-8-4-6-16(12-19)21-23-18(15-30-21)14-29-22(25)17-7-5-9-20(13-17)31(26,27)24-10-2-3-11-24/h4-9,12-13,15H,2-3,10-11,14H2,1H3