N-(6-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(6-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pipecolinamide Formula: C19H20ClN3O3S3 MolecularWeight: 470.0284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)C)Cl

Isomeric SMILES

CC1=CC(=CC2=C1N(C(=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)S2)C)Cl

InChI

InChI=1S/C19H20ClN3O3S3/c1-12-10-13(20)11-15-17(12)22(2)19(28-15)21-18(24)14-6-3-4-8-23(14)29(25,26)16-7-5-9-27-16/h5,7,9-11,14H,3-4,6,8H2,1-2H3