N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidinosulfonyl-benzamide Formula: C21H20N4O5S3 MolecularWeight: 504.6023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H20N4O5S3/c1-2-11-25-18-10-9-17(32(22,27)28)14-19(18)31-21(25)23-20(26)15-5-7-16(8-6-15)33(29,30)24-12-3-4-13-24/h1,5-10,14H,3-4,11-13H2,(H2,22,27,28)