methyl 4-[[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]amino]benzoate Openeye Name: methyl 4-[[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]benzoate CAS Name: 4-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]amino]benzoic acid methyl ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-28-20(25)15-4-6-16(7-5-15)21-14-19(24)22-17-8-10-18(11-9-17)29(26,27)23-12-2-3-13-23/h4-11,21H,2-3,12-14H2,1H3,(H,22,24)