[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-methoxyphenyl)thiazol-4-yl]methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-methoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-(4-methoxyphenyl)thiazol-4-yl]methyl ester Formula: C22H21ClN2O5S2 MolecularWeight: 492.99554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O5S2/c1-29-18-7-4-15(5-8-18)21-24-17(14-31-21)13-30-22(26)16-6-9-19(23)20(12-16)32(27,28)25-10-2-3-11-25/h4-9,12,14H,2-3,10-11,13H2,1H3