(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H21ClN2O5S/c1-15-19(24-21(30-15)16-7-3-2-4-8-16)14-29-22(26)17-9-10-18(23)20(13-17)31(27,28)25-11-5-6-12-25/h2-4,7-10,13H,5-6,11-12,14H2,1H3