[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-(2-nitrophenoxy)ethanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 2-(2-nitrophenoxy)ethanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid [2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid [2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl] ester Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O8S/c24-19(13-31-20(25)14-30-18-6-2-1-5-17(18)23(26)27)21-15-7-9-16(10-8-15)32(28,29)22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2,(H,21,24)