(3S)-3-(4-methylphenyl)-3-[(4-methylsulfonylphenyl)carbonylamino]propanoic acid

Systemtic Name: (3S)-3-(4-methylphenyl)-3-[(4-methylsulfonylphenyl)carbonylamino]propanoic acid Openeye Name: (3S)-3-[(4-methylsulfonylbenzoyl)amino]-3-(p-tolyl)propanoic acid CAS Name: (3S)-3-(4-methylphenyl)-3-[[(4-methylsulfonylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: (3S)-3-(4-methylphenyl)-3-[(4-methylsulfonylbenzoyl)amino]propanoic acid Traditional Name: (3S)-3-[(4-mesylbenzoyl)amino]-3-(p-tolyl)propionic acid Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H19NO5S/c1-12-3-5-13(6-4-12)16(11-17(20)21)19-18(22)14-7-9-15(10-8-14)25(2,23)24/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1