methyl 2-[2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(1-piperidylsulfonyl)anilino]acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-piperidin-1-ylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 2-[[2-(3-piperidinosulfonylanilino)acetyl]amino]benzoic acid methyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CNC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O5S/c1-29-21(26)18-10-3-4-11-19(18)23-20(25)15-22-16-8-7-9-17(14-16)30(27,28)24-12-5-2-6-13-24/h3-4,7-11,14,22H,2,5-6,12-13,15H2,1H3,(H,23,25)