N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-1-tosyl-nipecotamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H25N3O3S2/c1-18-12-14-20(15-13-18)34(31,32)29-16-6-7-19(17-29)25(30)27-22-9-3-2-8-21(22)26-28-23-10-4-5-11-24(23)33-26/h2-5,8-15,19H,6-7,16-17H2,1H3,(H,27,30)