4-chloranyl-3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfamoyl]benzoate

Systemtic Name: 4-chloranyl-3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfamoyl]benzoate Openeye Name: 4-chloro-3-[[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]sulfamoyl]benzoate CAS Name: 4-chloro-3-[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]sulfamoyl]benzoate IUPAC Name: 4-chloro-3-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfamoyl]benzoate Traditional Name: 4-chloro-3-[[4-[(3S)-3-methylpiperidino]sulfonylphenyl]sulfamoyl]benzoate Formula: C19H20ClN2O6S2- MolecularWeight: 471.9549

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)[O-])Cl

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)[O-])Cl

InChI

InChI=1S/C19H21ClN2O6S2/c1-13-3-2-10-22(12-13)30(27,28)16-7-5-15(6-8-16)21-29(25,26)18-11-14(19(23)24)4-9-17(18)20/h4-9,11,13,21H,2-3,10,12H2,1H3,(H,23,24)/p-1/t13-/m0/s1