(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22N2O5S/c1-15(19(23)21-17-7-3-2-4-8-17)27-20(24)16-9-11-18(12-10-16)28(25,26)22-13-5-6-14-22/h2-4,7-12,15H,5-6,13-14H2,1H3,(H,21,23)