N-[(2S)-1-[(4-ethylsulfonylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-1-[(4-ethylsulfonylphenyl)amino]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-1-[(4-ethylsulfonylphenyl)carbamoyl]-3-methylsulfonyl-propyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-(4-ethylsulfonylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-(4-ethylsulfonylanilino)-4-methylsulfonyl-1-oxobutan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-1-[(4-esylphenyl)carbamoyl]-3-mesyl-propyl]-3-methyl-benzamide Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(CCS(=O)(=O)C)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S2/c1-4-31(28,29)18-10-8-17(9-11-18)22-21(25)19(12-13-30(3,26)27)23-20(24)16-7-5-6-15(2)14-16/h5-11,14,19H,4,12-13H2,1-3H3,(H,22,25)(H,23,24)/t19-/m0/s1