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

Systemtic Name: (3-methyl-4-propan-2-yl-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (4-isopropyl-3-methyl-phenyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (3-methyl-4-propan-2-ylphenyl) ester IUPAC Name: (3-methyl-4-propan-2-ylphenyl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (4-isopropyl-3-methyl-phenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-15(2)20-11-8-18(14-16(20)3)26-21(23)17-6-9-19(10-7-17)27(24,25)22-12-4-5-13-22/h6-11,14-15H,4-5,12-13H2,1-3H3