N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylsulfonyl-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-benzyl-1-mesyl-N-(6-methoxy-1,3-benzothiazol-2-yl)nipecotamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)C4CCCN(C4)S(=O)(=O)C

InChI

InChI=1S/C22H25N3O4S2/c1-29-18-10-11-19-20(13-18)30-22(23-19)25(14-16-7-4-3-5-8-16)21(26)17-9-6-12-24(15-17)31(2,27)28/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3