(4-propan-2-ylphenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25NO4S/c1-16(2)18-10-8-17(9-11-18)15-26-21(23)19-6-5-7-20(14-19)27(24,25)22-12-3-4-13-22/h5-11,14,16H,3-4,12-13,15H2,1-2H3