1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[2-(3,5-dimethylanilino)-2-keto-ethyl]-N-(6-mesyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C24H28N4O4S2 MolecularWeight: 500.63352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C)C

InChI

InChI=1S/C24H28N4O4S2/c1-15-10-16(2)12-18(11-15)25-22(29)14-28-8-6-17(7-9-28)23(30)27-24-26-20-5-4-19(34(3,31)32)13-21(20)33-24/h4-5,10-13,17H,6-9,14H2,1-3H3,(H,25,29)(H,26,27,30)