4-[[1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[1-[(4-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoic acid CAS Name: 4-[[[1-[(4-chlorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[1-[(4-chlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoic acid Traditional Name: 4-[[1-(4-chlorobenzyl)sulfonylisonipecotoyl]amino]benzoic acid Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN2O5S/c21-17-5-1-14(2-6-17)13-29(27,28)23-11-9-15(10-12-23)19(24)22-18-7-3-16(4-8-18)20(25)26/h1-8,15H,9-13H2,(H,22,24)(H,25,26)