methyl 4-[[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]amino]benzoate

Systemtic Name: methyl 4-[[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]amino]benzoate Openeye Name: methyl 4-[[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]benzoate CAS Name: 4-[[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]benzoate Traditional Name: 4-[[2-keto-2-(3-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(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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