N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pipecolinamide Formula: C21H25N3O5S3 MolecularWeight: 495.6353

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)OC)OC

Isomeric SMILES

CCN1C2=C(C=CC(=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)OC)OC

InChI

InChI=1S/C21H25N3O5S3/c1-4-23-18-15(28-2)10-11-16(29-3)19(18)31-21(23)22-20(25)14-8-5-6-12-24(14)32(26,27)17-9-7-13-30-17/h7,9-11,13-14H,4-6,8,12H2,1-3H3