3,4-dimethyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-5-sulfamoyl-benzamide

Systemtic Name: 3,4-dimethyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-5-sulfamoyl-benzamide Openeye Name: 3,4-dimethyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-5-sulfamoyl-benzamide CAS Name: 3,4-dimethyl-N-[2-(1-pyrrolidinyl)-1,3-benzothiazol-6-yl]-5-sulfamoylbenzamide IUPAC Name: 3,4-dimethyl-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-5-sulfamoylbenzamide Traditional Name: 3,4-dimethyl-N-(2-pyrrolidino-1,3-benzothiazol-6-yl)-5-sulfamoyl-benzamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCCC4)S(=O)(=O)N)C

InChI

InChI=1S/C20H22N4O3S2/c1-12-9-14(10-18(13(12)2)29(21,26)27)19(25)22-15-5-6-16-17(11-15)28-20(23-16)24-7-3-4-8-24/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,22,25)(H2,21,26,27)