2-[[(2S)-3-methyl-1-[(phenylmethyl)amino]butan-2-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[(2S)-3-methyl-1-[(phenylmethyl)amino]butan-2-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[(1S)-1-[(benzylamino)methyl]-2-methyl-propyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[[(2S)-3-methyl-1-[(phenylmethyl)amino]butan-2-yl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[(2S)-1-(benzylamino)-3-methylbutan-2-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[(1S)-1-[(benzylamino)methyl]-2-methyl-propyl]carbamoyl]besylic acid Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

Isomeric SMILES

CC(C)[C@@H](CNCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O

InChI

InChI=1S/C19H24N2O4S/c1-14(2)17(13-20-12-15-8-4-3-5-9-15)21-19(22)16-10-6-7-11-18(16)26(23,24)25/h3-11,14,17,20H,12-13H2,1-2H3,(H,21,22)(H,23,24,25)/t17-/m1/s1