3-[[(4-bromophenyl)-(phenylsulfonyl)amino]methyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[[(4-bromophenyl)-(phenylsulfonyl)amino]methyl]piperidine-1-carboxylic acid Openeye Name: 3-[[N-(benzenesulfonyl)-4-bromo-anilino]methyl]piperidine-1-carboxylic acid CAS Name: 3-[[N-(benzenesulfonyl)-4-bromoanilino]methyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[[N-(benzenesulfonyl)-4-bromoanilino]methyl]piperidine-1-carboxylic acid Traditional Name: 3-[(N-besyl-4-bromo-anilino)methyl]piperidine-1-carboxylic acid Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)C(=O)O)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21BrN2O4S/c20-16-8-10-17(11-9-16)22(27(25,26)18-6-2-1-3-7-18)14-15-5-4-12-21(13-15)19(23)24/h1-3,6-11,15H,4-5,12-14H2,(H,23,24)