[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-(methylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 2-(methylamino)benzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 2-(methylamino)benzoate CAS Name: 2-(methylamino)benzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2-(methylamino)benzoate Traditional Name: 2-(methylamino)benzoic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CNC1=CC=CC=C1C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

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