2-[5-(4-chlorophenyl)pyridin-2-yl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid

Systemtic Name: 2-[5-(4-chlorophenyl)pyridin-2-yl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid Openeye Name: 2-[5-(4-chlorophenyl)-2-pyridyl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid CAS Name: 2-[5-(4-chlorophenyl)-2-pyridinyl]-3-methyl-2-(1-piperazinylsulfonylmethyl)butanoic acid IUPAC Name: 2-[5-(4-chlorophenyl)pyridin-2-yl]-3-methyl-2-(piperazin-1-ylsulfonylmethyl)butanoic acid Traditional Name: 2-[5-(4-chlorophenyl)-2-pyridyl]-3-methyl-2-(piperazinosulfonylmethyl)butyric acid Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CS(=O)(=O)N1CCNCC1)(C2=NC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)C(CS(=O)(=O)N1CCNCC1)(C2=NC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H26ClN3O4S/c1-15(2)21(20(26)27,14-30(28,29)25-11-9-23-10-12-25)19-8-5-17(13-24-19)16-3-6-18(22)7-4-16/h3-8,13,15,23H,9-12,14H2,1-2H3,(H,26,27)