(2-chloranyl-5-methylsulfanyl-phenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-methylsulfanyl-phenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (2-chloro-5-methylsulfanyl-phenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-chloro-5-(methylthio)phenyl]-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-methylsulfanylphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-chloro-5-(methylthio)phenyl]-(4-p-phenetylsulfonylpiperazino)methanone Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)SC)Cl

InChI

InChI=1S/C20H23ClN2O4S2/c1-3-27-15-4-7-17(8-5-15)29(25,26)23-12-10-22(11-13-23)20(24)18-14-16(28-2)6-9-19(18)21/h4-9,14H,3,10-13H2,1-2H3