(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C21H24ClNO4S MolecularWeight: 421.93756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

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