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

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (2-methylthiazol-4-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (2-methylthiazol-4-yl)methyl ester Formula: C16H17ClN2O4S2 MolecularWeight: 400.90018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H17ClN2O4S2/c1-11-18-13(10-24-11)9-23-16(20)12-4-5-14(17)15(8-12)25(21,22)19-6-2-3-7-19/h4-5,8,10H,2-3,6-7,9H2,1H3