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

Systemtic Name: 2-[(1-oxidanylidene-1-pentoxy-3-phenyl-propan-2-yl)carbamoyl]benzenesulfonic acid Openeye Name: 2-[(1-benzyl-2-oxo-2-pentoxy-ethyl)carbamoyl]benzenesulfonic acid CAS Name: 2-[oxo-[(1-oxo-1-pentoxy-3-phenylpropan-2-yl)amino]methyl]benzenesulfonic acid IUPAC Name: 2-[(1-oxo-1-pentoxy-3-phenylpropan-2-yl)carbamoyl]benzenesulfonic acid Traditional Name: 2-[(2-amoxy-1-benzyl-2-keto-ethyl)carbamoyl]besylic acid Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-2-3-9-14-28-21(24)18(15-16-10-5-4-6-11-16)22-20(23)17-12-7-8-13-19(17)29(25,26)27/h4-8,10-13,18H,2-3,9,14-15H2,1H3,(H,22,23)(H,25,26,27)