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

Systemtic Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-tosyl-nipecotamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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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(=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C26H25N3O4S/c1-18-11-13-22(14-12-18)34(31,32)29-15-5-7-20(17-29)25(30)27-21-8-4-6-19(16-21)26-28-23-9-2-3-10-24(23)33-26/h2-4,6,8-14,16,20H,5,7,15,17H2,1H3,(H,27,30)