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

Systemtic Name: 1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: 1-[2-(4-methylanilino)-2-oxo-ethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: 1-[2-(4-methylanilino)-2-oxoethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(4-methylanilino)-2-oxoethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-[2-keto-2-(p-toluidino)ethyl]-N-(6-mesyl-1,3-benzothiazol-2-yl)isonipecotamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S2/c1-15-3-5-17(6-4-15)24-21(28)14-27-11-9-16(10-12-27)22(29)26-23-25-19-8-7-18(33(2,30)31)13-20(19)32-23/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,28)(H,25,26,29)