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

Systemtic Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(p-tolyl)thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(4-methylphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(p-tolyl)thiazol-4-yl]methyl ester Formula: C22H22N2O4S2 MolecularWeight: 442.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H22N2O4S2/c1-16-7-9-17(10-8-16)21-23-19(15-29-21)14-28-22(25)18-5-4-6-20(13-18)30(26,27)24-11-2-3-12-24/h4-10,13,15H,2-3,11-12,14H2,1H3