3-[[methylsulfonyl-(2-phenoxyphenyl)amino]methyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[[methylsulfonyl-(2-phenoxyphenyl)amino]methyl]piperidine-1-carboxylic acid Openeye Name: 3-[(N-methylsulfonyl-2-phenoxy-anilino)methyl]piperidine-1-carboxylic acid CAS Name: 3-[(N-methylsulfonyl-2-phenoxyanilino)methyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[(N-methylsulfonyl-2-phenoxyanilino)methyl]piperidine-1-carboxylic acid Traditional Name: 3-[(N-mesyl-2-phenoxy-anilino)methyl]piperidine-1-carboxylic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC1CCCN(C1)C(=O)O)C2=CC=CC=C2OC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N(CC1CCCN(C1)C(=O)O)C2=CC=CC=C2OC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O5S/c1-28(25,26)22(15-16-8-7-13-21(14-16)20(23)24)18-11-5-6-12-19(18)27-17-9-3-2-4-10-17/h2-6,9-12,16H,7-8,13-15H2,1H3,(H,23,24)