N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pipecolinamide Formula: C19H21N3O3S3 MolecularWeight: 435.58334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)N2C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)N2C

InChI

InChI=1S/C19H21N3O3S3/c1-13-7-5-9-15-17(13)21(2)19(27-15)20-18(23)14-8-3-4-11-22(14)28(24,25)16-10-6-12-26-16/h5-7,9-10,12,14H,3-4,8,11H2,1-2H3