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

Systemtic Name: N-cycloheptyl-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide Openeye Name: N-cycloheptyl-1-[5-[(E)-2-(dimethylamino)vinyl]-3-methyl-isoxazol-4-yl]sulfonyl-piperidine-4-carboxamide CAS Name: N-cycloheptyl-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-4-isoxazolyl]sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-cycloheptyl-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide Traditional Name: N-cycloheptyl-1-[5-[(E)-2-(dimethylamino)vinyl]-3-methyl-isoxazol-4-yl]sulfonyl-isonipecotamide Formula: C21H34N4O4S MolecularWeight: 438.58406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)C=CN(C)C

Isomeric SMILES

CC1=NOC(=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3CCCCCC3)/C=C/N(C)C

InChI

InChI=1S/C21H34N4O4S/c1-16-20(19(29-23-16)12-13-24(2)3)30(27,28)25-14-10-17(11-15-25)21(26)22-18-8-6-4-5-7-9-18/h12-13,17-18H,4-11,14-15H2,1-3H3,(H,22,26)/b13-12+