3-azanyl-4-chloranyl-N-cyclohexyl-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-azanyl-4-chloranyl-N-cyclohexyl-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-amino-4-chloro-N-cyclohexyl-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3-amino-4-chloro-N-cyclohexyl-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]benzamide IUPAC Name: 3-amino-4-chloro-N-cyclohexyl-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide Traditional Name: 3-amino-4-chloro-N-cyclohexyl-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]benzamide Formula: C26H32ClFN4O4S MolecularWeight: 551.073083

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)CN(C3CCCCC3)C(=O)C4=CC(=C(C=C4)Cl)N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)CN(C3CCCCC3)C(=O)C4=CC(=C(C=C4)Cl)N

InChI

InChI=1S/C26H32ClFN4O4S/c1-37(35,36)24-16-19(28)8-10-23(24)30-11-13-31(14-12-30)25(33)17-32(20-5-3-2-4-6-20)26(34)18-7-9-21(27)22(29)15-18/h7-10,15-16,20H,2-6,11-14,17,29H2,1H3