N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)piperidine-3-carboxamide Traditional Name: 1-besyl-N-(4-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)nipecotamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=C2SC1=NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CN1C2=C(C=CC=C2SC1=NC(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H23N3O4S2/c1-23-19-17(28-2)11-6-12-18(19)29-21(23)22-20(25)15-8-7-13-24(14-15)30(26,27)16-9-4-3-5-10-16/h3-6,9-12,15H,7-8,13-14H2,1-2H3