N-(6-methyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfanylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-[4-(methylthio)phenyl]sulfonyl-isonipecotamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)SC

InChI

InChI=1S/C21H23N3O3S3/c1-14-3-8-18-19(13-14)29-21(22-18)23-20(25)15-9-11-24(12-10-15)30(26,27)17-6-4-16(28-2)5-7-17/h3-8,13,15H,9-12H2,1-2H3,(H,22,23,25)