2-bromanyl-N-[(2S)-1-[(3,4-dimethoxyphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[(2S)-1-[(3,4-dimethoxyphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[(1S)-1-[(3,4-dimethoxyphenyl)carbamoyl]-3-methylsulfonyl-propyl]benzamide CAS Name: 2-bromo-N-[(2S)-1-(3,4-dimethoxyanilino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[(2S)-1-(3,4-dimethoxyanilino)-4-methylsulfonyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[(1S)-1-[(3,4-dimethoxyphenyl)carbamoyl]-3-mesyl-propyl]benzamide Formula: C20H23BrN2O6S MolecularWeight: 499.37542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)[C@H](CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2Br)OC

InChI

InChI=1S/C20H23BrN2O6S/c1-28-17-9-8-13(12-18(17)29-2)22-20(25)16(10-11-30(3,26)27)23-19(24)14-6-4-5-7-15(14)21/h4-9,12,16H,10-11H2,1-3H3,(H,22,25)(H,23,24)/t16-/m0/s1