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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C21H23N3O3S3/c1-14-6-3-4-13-24(14)30(26,27)16-11-9-15(10-12-16)20(25)23-21-22-19-17(28-2)7-5-8-18(19)29-21/h5,7-12,14H,3-4,6,13H2,1-2H3,(H,22,23,25)