N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(3-mesylphenyl)sulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C22H25N3O6S3 MolecularWeight: 523.6454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)S(=O)(=O)C

InChI

InChI=1S/C22H25N3O6S3/c1-14-7-8-18(31-2)19-20(14)32-22(23-19)24-21(26)15-9-11-25(12-10-15)34(29,30)17-6-4-5-16(13-17)33(3,27)28/h4-8,13,15H,9-12H2,1-3H3,(H,23,24,26)