4-methyl-3-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate

Systemtic Name: 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate Openeye Name: 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate CAS Name: 4-methyl-3-[[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]sulfamoyl]benzoate IUPAC Name: 4-methyl-3-[(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-[(2-pyrrolidino-1,3-benzothiazol-6-yl)sulfamoyl]benzoate Formula: C19H18N3O4S2- MolecularWeight: 416.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4

InChI

InChI=1S/C19H19N3O4S2/c1-12-4-5-13(18(23)24)10-17(12)28(25,26)21-14-6-7-15-16(11-14)27-19(20-15)22-8-2-3-9-22/h4-7,10-11,21H,2-3,8-9H2,1H3,(H,23,24)/p-1