[1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-(phenylcarbamoylamino)propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(phenylcarbamoylamino)ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [1-[[anilino(oxo)methyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-1-methyl-2-(phenylcarbamoylamino)ethyl] ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6S/c1-15(19(25)23-21(27)22-17-9-3-2-4-10-17)30-20(26)16-8-7-11-18(14-16)31(28,29)24-12-5-6-13-24/h2-4,7-11,14-15H,5-6,12-13H2,1H3,(H2,22,23,25,27)