N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-tosyl-nipecotamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(C=C(C=C4S3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(C=C(C=C4S3)C)C

InChI

InChI=1S/C22H25N3O3S2/c1-14-6-8-18(9-7-14)30(27,28)25-10-4-5-17(13-25)21(26)24-22-23-20-16(3)11-15(2)12-19(20)29-22/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,23,24,26)