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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-(2-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(2-mesylphenyl)sulfonyl-N-(6-methoxy-1,3-benzothiazol-2-yl)isonipecotamide Formula: C21H23N3O6S3 MolecularWeight: 509.61882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C21H23N3O6S3/c1-30-15-7-8-16-17(13-15)31-21(22-16)23-20(25)14-9-11-24(12-10-14)33(28,29)19-6-4-3-5-18(19)32(2,26)27/h3-8,13-14H,9-12H2,1-2H3,(H,22,23,25)