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

Systemtic Name: N-(1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-5-yl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-5-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-5-yl)-1-tosyl-nipecotamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C20H21N3O3S2/c1-14-4-7-17(8-5-14)28(25,26)23-10-2-3-15(12-23)20(24)22-16-6-9-19-18(11-16)21-13-27-19/h4-9,11,13,15H,2-3,10,12H2,1H3,(H,22,24)