2-[[(2S)-1-decoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[(2S)-1-decoxy-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[(1S)-1-benzyl-2-decoxy-2-oxo-ethyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[[(2S)-1-decoxy-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[(2S)-1-decoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[(1S)-1-benzyl-2-decoxy-2-keto-ethyl]carbamoyl]besylic acid Formula: C26H35NO6S MolecularWeight: 489.6242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C26H35NO6S/c1-2-3-4-5-6-7-8-14-19-33-26(29)23(20-21-15-10-9-11-16-21)27-25(28)22-17-12-13-18-24(22)34(30,31)32/h9-13,15-18,23H,2-8,14,19-20H2,1H3,(H,27,28)(H,30,31,32)/t23-/m0/s1