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

Systemtic Name: 3-[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[(4,6-dimethyl-1,3-benzothiazol-2-yl)sulfamoyl]phenyl]propionate Formula: C18H17N2O4S2- MolecularWeight: 389.46858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-])C

InChI

InChI=1S/C18H18N2O4S2/c1-11-9-12(2)17-15(10-11)25-18(19-17)20-26(23,24)14-6-3-13(4-7-14)5-8-16(21)22/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,19,20)(H,21,22)/p-1