2-[[3-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid

Systemtic Name: 2-[[3-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylphenyl]carbamoyl]benzoic acid Openeye Name: 2-[[3-[2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl]sulfanylphenyl]carbamoyl]benzoic acid CAS Name: 2-[[3-[[2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl]thio]anilino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid Traditional Name: 2-[[3-[[2-(4-carbamoylpiperidino)-2-keto-ethyl]thio]phenyl]carbamoyl]benzoic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H23N3O5S/c23-20(27)14-8-10-25(11-9-14)19(26)13-31-16-5-3-4-15(12-16)24-21(28)17-6-1-2-7-18(17)22(29)30/h1-7,12,14H,8-11,13H2,(H2,23,27)(H,24,28)(H,29,30)