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

Systemtic Name: N-[2-[4-(4-fluoranyl-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(methylamino)-N-phenyl-benzamide Openeye Name: N-[2-[4-(4-fluoro-2-methylsulfonyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]-4-(methylamino)-N-phenyl-benzamide CAS Name: N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)-1-piperazinyl]-2-oxoethyl]-4-(methylamino)-N-phenylbenzamide IUPAC Name: N-[2-[4-(4-fluoro-2-methylsulfonylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(methylamino)-N-phenylbenzamide Traditional Name: N-[2-[4-(4-fluoro-2-mesyl-phenyl)piperazino]-2-keto-ethyl]-4-(methylamino)-N-phenyl-benzamide Formula: C27H29FN4O4S MolecularWeight: 524.606963

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=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

CNC1=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/C27H29FN4O4S/c1-29-22-11-8-20(9-12-22)27(34)32(23-6-4-3-5-7-23)19-26(33)31-16-14-30(15-17-31)24-13-10-21(28)18-25(24)37(2,35)36/h3-13,18,29H,14-17,19H2,1-2H3