N-[(2S)-1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[(2S)-1-[4-(5-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[(1S)-1-[4-(5-chloro-2-fluoro-benzoyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-methyl-benzenesulfonamide CAS Name: N-[(2S)-1-[4-[(5-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide IUPAC Name: N-[(2S)-1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[(1S)-1-[4-(5-chloro-2-fluoro-benzoyl)piperazine-1-carbonyl]-2-methyl-propyl]-4-methyl-benzenesulfonamide Formula: C23H27ClFN3O4S MolecularWeight: 495.994583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C23H27ClFN3O4S/c1-15(2)21(26-33(31,32)18-7-4-16(3)5-8-18)23(30)28-12-10-27(11-13-28)22(29)19-14-17(24)6-9-20(19)25/h4-9,14-15,21,26H,10-13H2,1-3H3/t21-/m0/s1