4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide

Systemtic Name: 4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Openeye Name: 4-[(2-methyl-1-piperidyl)sulfonyl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-(2-methylpiperidin-1-yl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide Traditional Name: 4-(2-methylpiperidino)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C21H23N3O3S3/c1-14-5-3-4-12-24(14)30(26,27)17-9-6-15(7-10-17)20(25)22-16-8-11-18-19(13-16)29-21(23-18)28-2/h6-11,13-14H,3-5,12H2,1-2H3,(H,22,25)