2-(1,3-benzothiazol-2-yl)-2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanamide

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanamide Openeye Name: 2-(1,3-benzothiazol-2-yl)-2-(3-cyano-4-methylsulfonyl-phenyl)-3-cyclopentyl-propanamide CAS Name: 2-(1,3-benzothiazol-2-yl)-2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentylpropanamide IUPAC Name: 2-(1,3-benzothiazol-2-yl)-2-(3-cyano-4-methylsulfonylphenyl)-3-cyclopentylpropanamide Traditional Name: 2-(1,3-benzothiazol-2-yl)-2-(3-cyano-4-mesyl-phenyl)-3-cyclopentyl-propionamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)(C3=NC4=CC=CC=C4S3)C(=O)N)C#N

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(CC2CCCC2)(C3=NC4=CC=CC=C4S3)C(=O)N)C#N

InChI

InChI=1S/C23H23N3O3S2/c1-31(28,29)20-11-10-17(12-16(20)14-24)23(21(25)27,13-15-6-2-3-7-15)22-26-18-8-4-5-9-19(18)30-22/h4-5,8-12,15H,2-3,6-7,13H2,1H3,(H2,25,27)