[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone

Systemtic Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone Openeye Name: [4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazin-1-yl]-[3-(1-piperidylsulfonyl)-2-thienyl]methanone CAS Name: [4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1-piperazinyl]-[3-(1-piperidinylsulfonyl)-2-thiophenyl]methanone IUPAC Name: [4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone Traditional Name: [4-[(3,5-dimethylisoxazol-4-yl)methyl]piperazino]-(3-piperidinosulfonyl-2-thienyl)methanone Formula: C20H28N4O4S2 MolecularWeight: 452.59072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C(=O)C3=C(C=CS3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H28N4O4S2/c1-15-17(16(2)28-21-15)14-22-9-11-23(12-10-22)20(25)19-18(6-13-29-19)30(26,27)24-7-4-3-5-8-24/h6,13H,3-5,7-12,14H2,1-2H3