4-(ethylamino)-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-benzamide

Systemtic Name: 4-(ethylamino)-N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-N-phenyl-benzamide Openeye Name: 4-(ethylamino)-N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-N-phenyl-benzamide CAS Name: 4-(ethylamino)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-N-phenylbenzamide IUPAC Name: 4-(ethylamino)-N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-N-phenylbenzamide Traditional Name: 4-(ethylamino)-N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-N-phenyl-benzamide Formula: C28H31FN4O4S MolecularWeight: 538.633543

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(C=C1)C(=O)N(CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)F)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCNC1=CC=C(C=C1)C(=O)N(CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)F)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C28H31FN4O4S/c1-3-30-23-12-9-21(10-13-23)28(35)33(24-7-5-4-6-8-24)20-27(34)32-17-15-31(16-18-32)25-14-11-22(29)19-26(25)38(2,36)37/h4-14,19,30H,3,15-18,20H2,1-2H3