[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [2-[(5-methylisoxazol-3-yl)methylsulfanyl]phenyl]-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [2-[(5-methyl-3-isoxazolyl)methylthio]phenyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: [2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [2-[(5-methylisoxazol-3-yl)methylthio]phenyl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C20H21N3O4S3 MolecularWeight: 463.59344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC(=NO1)CSC2=CC=CC=C2C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O4S3/c1-15-13-16(21-27-15)14-29-18-6-3-2-5-17(18)20(24)22-8-10-23(11-9-22)30(25,26)19-7-4-12-28-19/h2-7,12-13H,8-11,14H2,1H3