3-[4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoate

Systemtic Name: 3-[4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[(2-pyrrolidino-1,3-benzothiazol-6-yl)sulfamoyl]phenyl]propionate Formula: C20H20N3O4S2- MolecularWeight: 430.5205

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)CCC(=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)CCC(=O)[O-]

InChI

InChI=1S/C20H21N3O4S2/c24-19(25)10-5-14-3-7-16(8-4-14)29(26,27)22-15-6-9-17-18(13-15)28-20(21-17)23-11-1-2-12-23/h3-4,6-9,13,22H,1-2,5,10-12H2,(H,24,25)/p-1