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

Systemtic Name: [1-oxidanylidene-1-[(4-sulfamoylphenyl)amino]propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(4-sulfamoylanilino)ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-1-methyl-2-(4-sulfamoylanilino)ethyl] ester Formula: C22H27N3O7S2 MolecularWeight: 509.59568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O7S2/c1-15-6-7-17(14-20(15)34(30,31)25-12-4-3-5-13-25)22(27)32-16(2)21(26)24-18-8-10-19(11-9-18)33(23,28)29/h6-11,14,16H,3-5,12-13H2,1-2H3,(H,24,26)(H2,23,28,29)