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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

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