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

Systemtic Name: N-(6-chloranyl-4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-(3-mesylphenyl)sulfonyl-isonipecotamide Formula: C21H22ClN3O5S3 MolecularWeight: 528.06448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H22ClN3O5S3/c1-13-10-15(22)11-18-19(13)23-21(31-18)24-20(26)14-6-8-25(9-7-14)33(29,30)17-5-3-4-16(12-17)32(2,27)28/h3-5,10-12,14H,6-9H2,1-2H3,(H,23,24,26)