2-[[(2S)-3-methyl-1-(naphthalen-1-ylmethylamino)butan-2-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[[(2S)-3-methyl-1-(naphthalen-1-ylmethylamino)butan-2-yl]carbamoyl]benzenesulfonic acid Openeye Name: 2-[[(1S)-2-methyl-1-[(1-naphthylmethylamino)methyl]propyl]carbamoyl]benzenesulfonic acid CAS Name: 2-[[[(2S)-3-methyl-1-(1-naphthalenylmethylamino)butan-2-yl]amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[[(2S)-3-methyl-1-(naphthalen-1-ylmethylamino)butan-2-yl]carbamoyl]benzenesulfonic acid Traditional Name: 2-[[(1S)-2-methyl-1-[(1-naphthylmethylamino)methyl]propyl]carbamoyl]besylic acid Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNCC1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=CC=C3S(=O)(=O)O

Isomeric SMILES

CC(C)[C@@H](CNCC1=CC=CC2=CC=CC=C21)NC(=O)C3=CC=CC=C3S(=O)(=O)O

InChI

InChI=1S/C23H26N2O4S/c1-16(2)21(25-23(26)20-12-5-6-13-22(20)30(27,28)29)15-24-14-18-10-7-9-17-8-3-4-11-19(17)18/h3-13,16,21,24H,14-15H2,1-2H3,(H,25,26)(H,27,28,29)/t21-/m1/s1