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

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-tosyl-nipecotamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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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=CC=C4S3)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c1-14-8-10-17(11-9-14)29(26,27)24-12-4-6-16(13-24)20(25)23-21-22-19-15(2)5-3-7-18(19)28-21/h3,5,7-11,16H,4,6,12-13H2,1-2H3,(H,22,23,25)