4-(1,3-benzothiazol-2-ylmethyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-piperazine-2-carboxamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-piperazine-2-carboxamide Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-piperazine-2-carboxamide CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-2-piperazinecarboxamide IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-1-(3-fluorophenyl)sulfonyl-N-methylpiperazine-2-carboxamide Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-1-(3-fluorophenyl)sulfonyl-N-methyl-piperazine-2-carboxamide Formula: C20H21FN4O3S2 MolecularWeight: 448.534143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)F)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CNC(=O)C1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)F)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21FN4O3S2/c1-22-20(26)17-12-24(13-19-23-16-7-2-3-8-18(16)29-19)9-10-25(17)30(27,28)15-6-4-5-14(21)11-15/h2-8,11,17H,9-10,12-13H2,1H3,(H,22,26)