(3-acetamidophenyl) 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-acetamidophenyl) 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (3-acetamidophenyl) 2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-methyl-5-(1-pyrrolidinylsulfonyl)benzoic acid (3-acetamidophenyl) ester IUPAC Name: (3-acetamidophenyl) 2-methyl-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-pyrrolidinosulfonyl-benzoic acid (3-acetamidophenyl) ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OC3=CC=CC(=C3)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)OC3=CC=CC(=C3)NC(=O)C

InChI

InChI=1S/C20H22N2O5S/c1-14-8-9-18(28(25,26)22-10-3-4-11-22)13-19(14)20(24)27-17-7-5-6-16(12-17)21-15(2)23/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,21,23)