N-[(2S)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-1-[(2-chloro-6-fluoro-phenyl)methyl-methyl-carbamoyl]-3-methylsulfonyl-propyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-4-methylsulfonyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-1-[(2-chloro-6-fluoro-benzyl)-methyl-carbamoyl]-3-mesyl-propyl]-3-methyl-benzamide Formula: C21H24ClFN2O4S MolecularWeight: 454.942663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)N(C)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)N(C)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C21H24ClFN2O4S/c1-14-6-4-7-15(12-14)20(26)24-19(10-11-30(3,28)29)21(27)25(2)13-16-17(22)8-5-9-18(16)23/h4-9,12,19H,10-11,13H2,1-3H3,(H,24,26)/t19-/m0/s1