2-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 2-[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonylbenzoic acid Openeye Name: 2-[[4-(4-chlorobenzoyl)-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-[4-(4-chlorobenzoyl)piperidino]sulfonylbenzoic acid Formula: C19H18ClNO5S MolecularWeight: 407.86792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H18ClNO5S/c20-15-7-5-13(6-8-15)18(22)14-9-11-21(12-10-14)27(25,26)17-4-2-1-3-16(17)19(23)24/h1-8,14H,9-12H2,(H,23,24)