N-cycloheptyl-1-[[3-methyl-5-[(E)-2-(3-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide

Systemtic Name: N-cycloheptyl-1-[[3-methyl-5-[(E)-2-(3-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide Openeye Name: N-cycloheptyl-1-[3-methyl-5-[(E)-2-(m-tolyl)vinyl]isoxazol-4-yl]sulfonyl-piperidine-4-carboxamide CAS Name: N-cycloheptyl-1-[[3-methyl-5-[(E)-2-(3-methylphenyl)ethenyl]-4-isoxazolyl]sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-cycloheptyl-1-[[3-methyl-5-[(E)-2-(3-methylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide Traditional Name: N-cycloheptyl-1-[3-methyl-5-[(E)-2-(m-tolyl)vinyl]isoxazol-4-yl]sulfonyl-isonipecotamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=CC2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC4CCCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)/C=C/C2=C(C(=NO2)C)S(=O)(=O)N3CCC(CC3)C(=O)NC4CCCCCC4

InChI

InChI=1S/C26H35N3O4S/c1-19-8-7-9-21(18-19)12-13-24-25(20(2)28-33-24)34(31,32)29-16-14-22(15-17-29)26(30)27-23-10-5-3-4-6-11-23/h7-9,12-13,18,22-23H,3-6,10-11,14-17H2,1-2H3,(H,27,30)/b13-12+