1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cycloheptyl-5-(4-methoxyphenyl)pyrazole-3-carboxamide

Systemtic Name: 1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-cycloheptyl-5-(4-methoxyphenyl)pyrazole-3-carboxamide Openeye Name: N-cycloheptyl-1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methoxyphenyl)pyrazole-3-carboxamide CAS Name: N-cycloheptyl-1-[(3S)-1,1-dioxo-3-thiolanyl]-5-(4-methoxyphenyl)-3-pyrazolecarboxamide IUPAC Name: N-cycloheptyl-1-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-methoxyphenyl)pyrazole-3-carboxamide Traditional Name: N-cycloheptyl-1-[(3S)-1,1-diketothiolan-3-yl]-5-(4-methoxyphenyl)pyrazole-3-carboxamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)NC4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C(=O)NC4CCCCCC4

InChI

InChI=1S/C22H29N3O4S/c1-29-19-10-8-16(9-11-19)21-14-20(22(26)23-17-6-4-2-3-5-7-17)24-25(21)18-12-13-30(27,28)15-18/h8-11,14,17-18H,2-7,12-13,15H2,1H3,(H,23,26)/t18-/m0/s1