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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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