[2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-sulfamoylphenyl)amino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(3-sulfamoylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(3-sulfamoylanilino)ethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-2-(3-sulfamoylanilino)ethyl] ester Formula: C21H25N3O7S2 MolecularWeight: 495.5691

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25N3O7S2/c1-15-8-9-16(12-19(15)33(29,30)24-10-3-2-4-11-24)21(26)31-14-20(25)23-17-6-5-7-18(13-17)32(22,27)28/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,23,25)(H2,22,27,28)