(3-methyl-4-propan-2-yl-phenyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3)C(C)C

InChI

InChI=1S/C21H24ClNO4S/c1-14(2)18-8-7-17(12-15(18)3)27-21(24)16-6-9-19(22)20(13-16)28(25,26)23-10-4-5-11-23/h6-9,12-14H,4-5,10-11H2,1-3H3