3-[[4-phenyl-1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-phenyl-1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-[[1-(benzenesulfonyl)-4-phenyl-piperidine-4-carbonyl]amino]benzoic acid CAS Name: 3-[[[1-(benzenesulfonyl)-4-phenyl-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[1-(benzenesulfonyl)-4-phenylpiperidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-[(1-besyl-4-phenyl-isonipecotoyl)amino]benzoic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O5S/c28-23(29)19-8-7-11-21(18-19)26-24(30)25(20-9-3-1-4-10-20)14-16-27(17-15-25)33(31,32)22-12-5-2-6-13-22/h1-13,18H,14-17H2,(H,26,30)(H,28,29)