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

Systemtic Name: 3-azanyl-4-chloranyl-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-piperidin-4-yl-benzamide Openeye Name: 3-amino-4-chloro-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-N-(4-piperidyl)benzamide CAS Name: 3-amino-4-chloro-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-N-(4-piperidinyl)benzamide IUPAC Name: 3-amino-4-chloro-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-N-piperidin-4-ylbenzamide Traditional Name: 3-amino-4-chloro-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-N-(4-piperidyl)benzamide Formula: C25H31ClFN5O4S MolecularWeight: 552.061143

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)F)N2CCN(CC2)C(=O)CN(C3CCNCC3)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(C3CCNCC3)C(=O)C4=CC(=C(C=C4)Cl)N

InChI

InChI=1S/C25H31ClFN5O4S/c1-37(35,36)23-15-18(27)3-5-22(23)30-10-12-31(13-11-30)24(33)16-32(19-6-8-29-9-7-19)25(34)17-2-4-20(26)21(28)14-17/h2-5,14-15,19,29H,6-13,16,28H2,1H3