2-chloranyl-N-[[6-(2-pyrrolidin-1-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide

Systemtic Name: 2-chloranyl-N-[[6-(2-pyrrolidin-1-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide Openeye Name: 2-chloro-N-[[6-(2-pyrrolidin-1-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide CAS Name: 2-chloro-N-[oxo-[[6-[2-(1-pyrrolidinyl)ethylsulfonyl]-1,3-benzothiazol-2-yl]amino]methyl]benzamide IUPAC Name: 2-chloro-N-[[6-(2-pyrrolidin-1-ylethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide Traditional Name: 2-chloro-N-[[6-(2-pyrrolidinoethylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl]benzamide Formula: C21H21ClN4O4S2 MolecularWeight: 492.99884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)CCS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4O4S2/c22-16-6-2-1-5-15(16)19(27)24-20(28)25-21-23-17-8-7-14(13-18(17)31-21)32(29,30)12-11-26-9-3-4-10-26/h1-2,5-8,13H,3-4,9-12H2,(H2,23,24,25,27,28)