[1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 2-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: [1-oxidanylidene-1-[(4-piperidin-1-ylphenyl)amino]propan-2-yl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [1-methyl-2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [1-oxo-1-[4-(1-piperidinyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [2-keto-1-methyl-2-(4-piperidinoanilino)ethyl] ester Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)Cl

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C21H24ClN3O5S/c1-14(30-21(27)18-13-17(31(23,28)29)9-10-19(18)22)20(26)24-15-5-7-16(8-6-15)25-11-3-2-4-12-25/h5-10,13-14H,2-4,11-12H2,1H3,(H,24,26)(H2,23,28,29)