2-[2-[[methylsulfonyl(phenyl)amino]methyl]-1H-indol-6-yl]propanedioic acid

Systemtic Name: 2-[2-[[methylsulfonyl(phenyl)amino]methyl]-1H-indol-6-yl]propanedioic acid Openeye Name: 2-[2-[(N-methylsulfonylanilino)methyl]-1H-indol-6-yl]propanedioic acid CAS Name: 2-[2-[(N-methylsulfonylanilino)methyl]-1H-indol-6-yl]propanedioic acid IUPAC Name: 2-[2-[(N-methylsulfonylanilino)methyl]-1H-indol-6-yl]propanedioic acid Traditional Name: 2-[2-[(N-mesylanilino)methyl]-1H-indol-6-yl]malonic acid Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1=CC2=C(N1)C=C(C=C2)C(C(=O)O)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC1=CC2=C(N1)C=C(C=C2)C(C(=O)O)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O6S/c1-28(26,27)21(15-5-3-2-4-6-15)11-14-9-12-7-8-13(10-16(12)20-14)17(18(22)23)19(24)25/h2-10,17,20H,11H2,1H3,(H,22,23)(H,24,25)