4-[2-oxidanylidene-2-(1-phenylpropan-2-ylamino)ethyl]benzenesulfonate

Systemtic Name: 4-[2-oxidanylidene-2-(1-phenylpropan-2-ylamino)ethyl]benzenesulfonate Openeye Name: 4-[2-[(1-methyl-2-phenyl-ethyl)amino]-2-oxo-ethyl]benzenesulfonate CAS Name: 4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]benzenesulfonate IUPAC Name: 4-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]benzenesulfonate Traditional Name: 4-[2-keto-2-[(1-methyl-2-phenyl-ethyl)amino]ethyl]besylate Formula: C17H18NO4S- MolecularWeight: 332.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)NC(=O)CC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C17H19NO4S/c1-13(11-14-5-3-2-4-6-14)18-17(19)12-15-7-9-16(10-8-15)23(20,21)22/h2-10,13H,11-12H2,1H3,(H,18,19)(H,20,21,22)/p-1