2-[[(2S)-1-phenyl-3-[(phenylmethyl)amino]propan-2-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[(2S)-1-phenyl-3-[(phenylmethyl)amino]propan-2-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[(1S)-1-benzyl-2-(benzylamino)ethyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[oxo-[[(2S)-1-phenyl-3-[(phenylmethyl)amino]propan-2-yl]amino]methyl]benzenesulfonic acid IUPAC Name: 2-[[(2S)-1-(benzylamino)-3-phenylpropan-2-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[(1S)-1-benzyl-2-(benzylamino)ethyl]carbamoyl]besylic acid Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CNCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CNCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C23H24N2O4S/c26-23(21-13-7-8-14-22(21)30(27,28)29)25-20(15-18-9-3-1-4-10-18)17-24-16-19-11-5-2-6-12-19/h1-14,20,24H,15-17H2,(H,25,26)(H,27,28,29)/t20-/m0/s1