N-(2-methyl-1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-methyl-1,3-benzothiazol-5-yl)-1-tosyl-isonipecotamide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)SC(=N4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC4=C(C=C3)SC(=N4)C

InChI

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