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

Systemtic Name: N-cycloheptyl-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide Openeye Name: N-cycloheptyl-1-[3-methyl-5-[(E)-2-(2-thienyl)vinyl]isoxazol-4-yl]sulfonyl-piperidine-4-carboxamide CAS Name: N-cycloheptyl-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-4-isoxazolyl]sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-cycloheptyl-1-[[3-methyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide Traditional Name: N-cycloheptyl-1-[3-methyl-5-[(E)-2-(2-thienyl)vinyl]isoxazol-4-yl]sulfonyl-isonipecotamide Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C=CC4=CC=CS4

Isomeric SMILES

CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)/C=C/C4=CC=CS4

InChI

InChI=1S/C23H31N3O4S2/c1-17-22(21(30-25-17)11-10-20-9-6-16-31-20)32(28,29)26-14-12-18(13-15-26)23(27)24-19-7-4-2-3-5-8-19/h6,9-11,16,18-19H,2-5,7-8,12-15H2,1H3,(H,24,27)/b11-10+