3-[4-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[4-(3-methylpiperidino)sulfonylphenyl]sulfamoyl]phenyl]propionic acid Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H26N2O6S2/c1-16-3-2-14-23(15-16)31(28,29)20-11-7-18(8-12-20)22-30(26,27)19-9-4-17(5-10-19)6-13-21(24)25/h4-5,7-12,16,22H,2-3,6,13-15H2,1H3,(H,24,25)