N-(3,4-dihydro-2H-thiochromen-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide Openeye Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-thiochroman-4-yl-piperidine-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonyl-N-thiochroman-4-yl-isonipecotamide Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C20H25N3O4S2/c1-13-19(14(2)27-22-13)29(25,26)23-10-7-15(8-11-23)20(24)21-17-9-12-28-18-6-4-3-5-16(17)18/h3-6,15,17H,7-12H2,1-2H3,(H,21,24)