2-[2,5-bis(oxidanylidene)-1-(4-piperidin-1-ylphenyl)pyrrolidin-3-yl]sulfanylbenzoic acid

Systemtic Name: 2-[2,5-bis(oxidanylidene)-1-(4-piperidin-1-ylphenyl)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[2,5-dioxo-1-[4-(1-piperidyl)phenyl]pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[2,5-dioxo-1-[4-(1-piperidinyl)phenyl]-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[2,5-dioxo-1-(4-piperidin-1-ylphenyl)pyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[2,5-diketo-1-(4-piperidinophenyl)pyrrolidin-3-yl]thio]benzoic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H22N2O4S/c25-20-14-19(29-18-7-3-2-6-17(18)22(27)28)21(26)24(20)16-10-8-15(9-11-16)23-12-4-1-5-13-23/h2-3,6-11,19H,1,4-5,12-14H2,(H,27,28)