4-(6-bromanylnaphthalen-2-yl)sulfanyl-2-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzoic acid

Systemtic Name: 4-(6-bromanylnaphthalen-2-yl)sulfanyl-2-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-benzoic acid Openeye Name: 4-[(6-bromo-2-naphthyl)sulfanyl]-2-[4-(4-pyridyl)piperazine-1-carbonyl]benzoic acid CAS Name: 4-[(6-bromo-2-naphthalenyl)thio]-2-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]benzoic acid IUPAC Name: 4-(6-bromonaphthalen-2-yl)sulfanyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)benzoic acid Traditional Name: 4-[(6-bromo-2-naphthyl)thio]-2-[4-(4-pyridyl)piperazine-1-carbonyl]benzoic acid Formula: C27H22BrN3O3S MolecularWeight: 548.45088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=C(C=CC(=C3)SC4=CC5=C(C=C4)C=C(C=C5)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=C(C=CC(=C3)SC4=CC5=C(C=C4)C=C(C=C5)Br)C(=O)O

InChI

InChI=1S/C27H22BrN3O3S/c28-20-3-1-19-16-22(4-2-18(19)15-20)35-23-5-6-24(27(33)34)25(17-23)26(32)31-13-11-30(12-14-31)21-7-9-29-10-8-21/h1-10,15-17H,11-14H2,(H,33,34)