(2-methoxy-4-methylsulfanyl-phenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C17H20N2O4S3 MolecularWeight: 412.5467

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N2O4S3/c1-23-15-12-13(24-2)5-6-14(15)17(20)18-7-9-19(10-8-18)26(21,22)16-4-3-11-25-16/h3-6,11-12H,7-10H2,1-2H3