methyl 4-[(E)-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethoxy]iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethoxy]iminomethyl]benzoate Openeye Name: methyl 4-[(E)-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethoxy]iminomethyl]benzoate CAS Name: 4-[(E)-[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethoxy]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethoxy]iminomethyl]benzoate Traditional Name: 4-[(E)-[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]oximinomethyl]benzoic acid methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NOCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23N3O6S/c1-29-21(26)17-6-4-16(5-7-17)14-22-30-15-20(25)23-18-8-10-19(11-9-18)31(27,28)24-12-2-3-13-24/h4-11,14H,2-3,12-13,15H2,1H3,(H,23,25)/b22-14+