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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

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