2-chloranyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-5-pyrrolidinosulfonyl-benzamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C20H20ClN3O3S2/c1-12-5-6-13(2)18-17(12)22-20(28-18)23-19(25)15-11-14(7-8-16(15)21)29(26,27)24-9-3-4-10-24/h5-8,11H,3-4,9-10H2,1-2H3,(H,22,23,25)